SCHEMBL7977426

SCHEMBL7977426

COc1ccc(COc2c(C(=O)O)nn(Cc3ccc(OC)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PTGER4 P35408 3/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPBWR1 P48145 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL10140271 0.92 CNR1 (0.47) CNR1CNR2PTGER4FAAHMGLL
SCHEMBL7973344 0.89 CYP19A1 (0.53) CNR1CNR2POLBSMN1; SMN2PTGDR2
SCHEMBL10140554 0.82 ALDH1A1 (0.43) CNR1CNR2FAAHMGLLPOLB
SCHEMBL10140278 0.80 SMN1; SMN2 (0.48) CNR1CNR2PTGER4FAAHMGLL
SCHEMBL20307720 0.79 CYP19A1 (0.63) POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL10140272 0.77 MEN1 (0.48) CNR1CNR2PTGER4FAAHMGLL
SCHEMBL2432735 0.74 PTGER4 (0.72) CNR1CNR2PTGER4ALDH1A1GAA
SCHEMBL8887875 0.74 MEN1 (0.51) PTGER4NPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL11254519 0.73 PTGDR2 (0.60) SMN1; SMN2PTGDR2
SCHEMBL20307746 0.72 HDAC1 (0.50) ADORA3

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CNR1 2805/4885CNR2 3165/4885PTGER4 2747/4885

“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.