SCHEMBL2611040

SCHEMBL2611040

CC(C)c1cccc2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
KEAP1 Q14145 1/20 0.44
BCHE P06276 3/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
PDPK1 O15530 1/20 0.43
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GABRB2 P47870 2/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL29783549 0.84 AHR (0.52) AHRKEAP1BCHENR3C1PGR
SCHEMBL3738852 0.84 AHR (0.52) AHRKEAP1BCHENR3C1PGR
SCHEMBL2260871 0.84 AHR (0.47) AHRKEAP1BCHENR3C1PGR
SCHEMBL1251800 0.81 AHR (0.44) AHRKEAP1BCHENR3C1PGR
SCHEMBL3794702 0.81 TSHR (0.44) AHRKEAP1BCHENR3C1PGR
SCHEMBL25474389 0.77 BCHE (0.43) AHRKEAP1BCHENR3C1PGR
SCHEMBL5154962 0.77 NR3C1 (0.46) AHRKEAP1BCHENR3C1PGR
SCHEMBL6029505 0.76 AHR (0.43) AHRKEAP1BCHENR3C1PGR
SCHEMBL28014035 0.76 BCHE (0.43) AHRKEAP1BCHENR3C1PGR
SCHEMBL8302676 0.76 AHR (0.40) AHRKEAP1BCHENR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION AMGEN INC. (US) 2023-11-16 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 WO disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP 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 (11 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-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 AHR 153/4885KEAP1 1959/4885BCHE 850/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 AHR 269/4885KEAP1 943/4885BCHE 4657/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 AHR 1263/4885KEAP1 2209/4885BCHE 1041/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 60/4885KEAP1 898/4885BCHE 4038/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT AHR 51/4885KEAP1 1140/4885BCHE 4139/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 AHR 771/4885KEAP1 206/4885BCHE 4540/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 AHR 695/4885KEAP1 704/4885BCHE 121/4885
US-20230365588-A1 DIOL DESYMMETRIZATION BY NUCLEOPHILIC AROMATIC SUBSTITUTION MCL1, BAK1, BCL2A1 AHR 232/4885KEAP1 199/4885BCHE 4700/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 AHR 327/4885KEAP1 940/4885BCHE 2634/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS AHR 732/4885KEAP1 383/4885BCHE 4812/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B AHR 515/4885KEAP1 209/4885BCHE 4725/4885

“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.