SCHEMBL6099358

SCHEMBL6099358

[c]1ccc(-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
MCL1 Q07820 1/20 0.54
PTGER1 P34995 6/20 0.49
PTGER4 P35408 4/20 0.49
PTGER3 P43115 4/20 0.49
PTGER2 P43116 4/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ERN1 O75460 1/20 0.48
IDO1 P14902 1/20 0.48
BRD4 O60885 4/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
LIPE Q05469 1/20 0.45

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
SCHEMBL201074 0.87 RXRA (0.70) RXRARXRBRXRGMCL1PTGER1
SCHEMBL13740358 0.83 RXRA (0.75) RXRARXRBRXRGMCL1PTGER1
SCHEMBL26013299 0.81 MAPT (0.63) RXRARXRBRXRGMCL1PTGER1
SCHEMBL5096390 0.81 RXRA (0.67) RXRARXRBRXRGMCL1PTGER1
SCHEMBL5109238 0.80 PTGER1 (0.66) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7673601 0.80 TDP1 (0.45) RXRARXRBRXRGMAPK1TDP1
SCHEMBL13738963 0.80 RXRA (0.71) RXRARXRBRXRGMCL1PTGER1
SCHEMBL1423699 0.79 CYP11B1 (0.60) RXRARXRBRXRGMCL1PTGER1
SCHEMBL3786776 0.79 MAPT (0.58) RXRARXRBRXRGMCL1PTGER1
SCHEMBL10093045 0.79 SYK (0.63) RXRARXRBRXRGMCL1PTGER1

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 5 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
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US 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-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 RXRA 2906/4885RXRB 3075/4885RXRG 2262/4885

“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.