SCHEMBL2201130

SCHEMBL2201130

CC(C)(C)c1cccc(C(C)(C)C)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF11 P52732 1/20 0.39
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6681932 0.87 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12253731 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29441582 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22140395 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2497840 0.83 ALDH1A1 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL16953363 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9812334 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6677576 0.81 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6773344 0.79 CA2 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL16955605 0.79 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404264-B2 Organic electric light emitting element, material for said element, and light emitting device, display device, and illumination device employing said element UDC IRELAND LIMITED (IE) 2025-09-02 US disclosed
CN-118344396-A Carbazole compound, intermediate and organic electroluminescent device 阜阳欣奕华材料科技有限公司 2024-07-16 CN disclosed
CN-117263964-A Condensed heterocyclic compound, application thereof and organic electroluminescent device containing same 浙江虹舞科技有限公司 2023-12-22 CN disclosed
US-20200058883-A1 ORGANIC ELECTRIC LIGHT EMITTING ELEMENT, MATERIAL FOR SAID ELEMENT, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE, AND ILLUMINATION DEVICE EMPLOYING SAID ELEMENT UDC IRELAND LTD (IE) 2020-02-20 US disclosed
US-10468607-B2 Organic electric light emitting element, material for said element, and light emitting device, display device, and illumination device employing said element UDC IRELAND LIMITED (IE) 2019-11-05 US disclosed
US-9724675-B2 Photocatalyst material and method for fabricating the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-08-08 US disclosed
EP-2697197-B1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2015-06-03 EP disclosed
US-20150053936-A1 ORGANIC ELECTRIC LIGHT EMITTING ELEMENT, MATERIAL FOR SAID ELEMENT, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE, AND ILLUMINATION DEVICE EMPLOYING SAID ELEMENT UDC IRELAND LIMITED (IE) 2015-02-26 US disclosed
US-8946446-B2 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2015-02-03 US disclosed
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-05-22 US disclosed
US-20140141968-A1 PHOTOCATALYST MATERIAL AND METHOD FOR FABRICATING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-22 US disclosed
EP-2697197-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES Phenex Pharmaceuticals AG (DE) 2014-02-19 EP disclosed
WO-2012139775-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2012-10-18 WO disclosed
US-20110230680-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-09-22 US disclosed
US-7977286-B2 Substituted N,N'-diaryl-m-phenylenediamines impart good levels of oxidation inhibition in lubricants, hydraulic fluids; lubricant is a synthetic oil derived from a Fischer-Tropsch wax via palladium/phosphine complex coupling catalyst; engine, industrial, marine, hydraulic, aviation, driveline oils EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-07-12 US disclosed
EP-2029706-A2 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES ExxonMobil Research and Engineering Company (US) 2009-03-04 EP disclosed
WO-2007133462-A2 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2007-11-22 WO disclosed
US-20070265178-A1 Lubricating compositions containing ashless catalytic antioxidant additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2007-11-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12404264-B2 Organic electric light emitting element, material for said element, and light emitting device, display device, and illumination device employing said element NR0B1, NR2E1, NR1D1 CA2 3824/4885GABRA1 2287/4885GABRB2 3682/4885
US-10468607-B2 Organic electric light emitting element, material for said element, and light emitting device, display device, and illumination device employing said element L1CAM, NAP1L1, NOTCH1 CA2 2626/4885GABRA1 4033/4885GABRB2 4722/4885
US-20070265178-A1 Lubricating compositions containing ashless catalytic antioxidant additives GPX4, SOD1, GPX1 CA2 2215/4885GABRA1 4834/4885GABRB2 4822/4885
US-20200058883-A1 ORGANIC ELECTRIC LIGHT EMITTING ELEMENT, MATERIAL FOR SAID ELEMENT, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE, AND ILLUMINATION DEVICE EMPLOYING SAID ELEMENT NR0B1, NR2E1, NR1D1 CA2 3824/4885GABRA1 2287/4885GABRB2 3682/4885
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC CA2 2078/4885GABRA1 256/4885GABRB2 249/4885
US-20110230680-A1 LUBRICATING COMPOSITIONS CONTAINING ASHLESS CATALYTIC ANTIOXIDANT ADDITIVES GPX4, SOD1, GPX1 CA2 2292/4885GABRA1 4828/4885GABRB2 4817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.