SCHEMBL4645950

SCHEMBL4645950

Cc1c2ccccc2c(Br)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 4/20 0.43
ALDH1A1 P00352 5/20 0.39
CYP2A6 P11509 3/20 0.39
AHR P35869 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9307379 0.86 CYP1A2 (0.41) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL31621526 0.85 CYP1A2 (0.45) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL1259140 0.85 CYP1A2 (0.45) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL6760762 0.85 CYP1A2 (0.45) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL29352635 0.84 ALDH1A1 (0.44) TSHRHSD17B10MAPK1CYP1A2ALDH1A1
SCHEMBL29379467 0.84 CYP1A2 (0.56) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL28511 0.84 ALDH1A1 (0.44) TSHRHSD17B10MAPK1CYP1A2ALDH1A1
SCHEMBL377040 0.84 CYP1A2 (0.56) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL31621522 0.83 CYP1A2 (0.39) TSHRCYP3A4HIF1AHPGDHSD17B10
SCHEMBL4514863 0.81 CYP1A2 (0.53) TSHRCYP3A4HIF1AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4091578-B1 METHOD FOR PRODUCING PLATE DENTURE TOKUYAMA DENTAL CORP (JP) 2024-10-09 EP disclosed
US-12035622-B2 Triazine compound and organic semiconductng layer comprising the same NOVALED GMBH (DE) 2024-07-09 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
CN-114929158-B Method for producing denture, curable composition for photoforming, and kit for producing denture 株式会社德山齿科 2023-10-20 CN disclosed
EP-1431315-B1 Photopolymerization initiator and photopolymerizable composition TOKUYAMA CORP (JP) 2007-10-17 EP disclosed
EP-1626976-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2007-10-17 EP disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
CN-1732883-A Cationically curable composition for dental use TOKUYAMA CORP (JP) 2006-02-15 CN disclosed
US-20050250868-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-10 US disclosed
EP-1591098-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-02 EP disclosed
US-20040186195-A1 Photopolymerization initiator and photopolymerizable composition TOKUYAMA CORPORATION (JP) 2004-09-23 US disclosed
CN-1513884-A Photopolymerization initiator and composition capable of photopolymerization 株式会社德山 2004-07-21 CN disclosed
EP-1431315-A2 Photopolymerization initiator and photopolymerizable composition Tokuyama Corporation (JP) 2004-06-23 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 (3 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-12035622-B2 Triazine compound and organic semiconductng layer comprising the same POU5F1, TERT, POU2F1 TSHR 1745/4885CYP3A4 113/4885HIF1A 4520/4885
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, SELE, CTCF TSHR 4742/4885CYP3A4 679/4885HIF1A 4862/4885
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM TSHR 3804/4885CYP3A4 1730/4885HIF1A 4804/4885

“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.