SCHEMBL6097840

SCHEMBL6097840

CCCCCc1ccc(Oc2ccccc2-c2cc[c]cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
HSD11B1 P28845 2/20 0.38

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
SCHEMBL9011773 0.78 ESR1 (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL3990509 0.76 NCOA1 (0.58) NCOA1NCOA3FFAR4LMNAKMT2A
SCHEMBL28928016 0.75 NCOA1 (0.54) NCOA1NCOA3FFAR4
SCHEMBL921443 0.75 LTA4H (0.43) MEN1ALDH1A1LMNACYP3A4MAPK1
SCHEMBL981933 0.75 HSD17B10 (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27871822 0.75 LPAR1 (0.48) ALDH1A1LMNACYP3A4
SCHEMBL15966958 0.75 KDM4E (0.49) MEN1ALDH1A1LMNACYP3A4MAPK1
SCHEMBL28648476 0.74 NCOA1 (0.53) NCOA1NCOA3FFAR4
SCHEMBL9138002 0.73 CYP1A2 (0.54) ALDH1A1LMNACYP3A4
SCHEMBL4829554 0.73 NCOA1 (0.47) NCOA1NCOA3FFAR4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 NCOA1 4297/4885NCOA3 3634/4885FFAR4 1195/4885

“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.