SCHEMBL807863

SCHEMBL807863

Cc1cc(-c2ccccc2)cc(C)c1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP3A4 P08684 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
TSHR P16473 2/20 0.70
TP53 P04637 1/20 0.70
MAOA P21397 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL22554727 0.98 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL22554699 0.98 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL1918559 0.89 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL8954034 0.87 ALDH1A1 (0.82) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL22517389 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL22554778 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL9326316 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1TSHRTP53
Hydrogen Peroxide SCHEMBL710551 0.84 ALDH1A1 (0.88) ALDH1A1CYP3A4TDP1TSHRTP53
Hydrogen Peroxide SCHEMBL2233709 0.84 ALDH1A1 (0.88) ALDH1A1CYP3A4TDP1TSHRTP53
SCHEMBL1866504 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1TSHRTP53

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110339862-A A kind of alpha-diimine palladium catalyst and preparation method thereof that contraposition phenyl replaces 江苏高科石化股份有限公司 2019-10-18 CN claimed
EP-4471041-A2 MOLECULAR ALIGNMENT OF HOMOLEPTIC IRIDIUM PHOSPHORS University of Southern California (US) 2024-12-04 EP disclosed
EP-4112701-B1 MOLECULAR ALIGNMENT OF HOMOLEPTIC IRIDIUM PHOSPHORS UNIV SOUTHERN CALIFORNIA (US) 2024-10-16 EP disclosed
CN-117624221-A Aza-binuclear large-volume anionic-cationic complex, and preparation method and application thereof 中化学科学技术研究有限公司 2024-03-01 CN disclosed
CN-117447403-A Alkyl carbene compound, ruthenium complex, and preparation methods and applications thereof 合肥中科科乐新材料有限责任公司 2024-01-26 CN disclosed
EP-3792270-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-12-13 EP disclosed
EP-3988557-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-22 EP disclosed
EP-4274405-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-4273206-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2023-11-08 EP disclosed
US-20230133787-A1 Molecular Alignment of Homoleptic Iridium Phosphors THE UNIVERSITY OF SOUTHERN CALIFORNIA 2023-05-04 US disclosed
US-8258308-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
CN-102060946-B N, N coordinated nickel vinyl polymerization catalyst containing phenyl as well as preparation and application UNIV NORTHWEST NORMAL 2012-07-11 CN disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 WO disclosed
EP-1614410-B1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2011-08-10 EP disclosed
US-7538172-B2 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2009-05-26 US disclosed
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-05 US disclosed
EP-1614410-A1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins Ivoclar Vivadent AG (LI) 2006-01-11 EP disclosed
US-20060004158-A1 Dental materials polymerizable by photo-induced ring-opening metathesis polymerization of cyclic olefins IVOCLAR VIVADENT AG (LI) 2006-01-05 US disclosed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN 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 (2 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-20230133787-A1 Molecular Alignment of Homoleptic Iridium Phosphors OCIAD1, OCIAD2, OXA1L ALDH1A1 1713/4885CYP3A4 4095/4885TDP1 1332/4885
US-20090062498-A1 NOVEL STRATEGIES, LINKERS AND COORDINATION POLYMERS FOR HIGH-PERFORMANCE SORBENTS ILK, TIMCC, EPCAM ALDH1A1 4061/4885CYP3A4 3289/4885TDP1 3862/4885

“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.