SCHEMBL3977645

SCHEMBL3977645

Cc1cc[c]c(-c2ccc(C)c(C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
ALPL P05186 1/20 0.30
CA9 Q16790 1/20 0.30
RAB9A P51151 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL11514119 0.83 TDP1 (0.55) ALDH1A1TP53NPC1MAPTTDP1
SCHEMBL102139 0.81 TDP1 (0.36) ALDH1A1TP53NPC1TDP1CYP3A4
SCHEMBL9794569 0.78 NOTUM (0.35) NOTUMMCL1ALDH1A1TP53USP2
SCHEMBL7049757 0.78 ACHE (0.38) ALDH1A1TP53TDP1CYP3A4
SCHEMBL5779452 0.78 ACHE (0.44) NOTUMALDH1A1TP53NPC1MAPT
SCHEMBL10941967 0.77 AHR (0.46) NOTUMNPC1USP2MAPTRAB9A
SCHEMBL2434582 0.77 NFE2L2 (0.35) NOTUMALDH1A1PTGS2
SCHEMBL7138582 0.77 ACHE (0.36) ALDH1A1TSHR
SCHEMBL2154312 0.76 AHR (0.34) NOTUMALDH1A1TP53NPC1MAPT
SCHEMBL1141083 0.76 NPC1 (0.39) NOTUMMCL1ALDH1A1NPC1USP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US claimed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO claimed
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO disclosed
EP-0869765-A1 AQUEOUS NAIL COATING COMPOSITION CONTAINING COPOLYMERIZED COLORANTS EASTMAN CHEMICAL COMPANY (US) 1998-10-14 EP disclosed
US-5749925-A Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
WO-1997024102-A1 AQUEOUS NAIL COATING COMPOSITION CONTAINING COPOLYMERIZED COLORANTS EASTMAN CHEMICAL COMPANY (US) 1997-07-10 WO 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 (1 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 NOTUM 4504/4885MCL1 1283/4885ALDH1A1 1138/4885

“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.