SCHEMBL4601050

SCHEMBL4601050

COc1c(C)cc(-c2ccc(F)c(C)c2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
CNR2 P34972 5/20 0.47
MCL1 Q07820 1/20 0.45
RXRB P28702 2/20 0.44
RXRA P19793 1/20 0.44
NEK2 P51955 1/20 0.43
DHODH Q02127 2/20 0.42
HPGDS O60760 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PTGER2 P43116 2/20 0.41

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
SCHEMBL4602362 0.87 LMNA (0.50) CNR1CNR2MCL1NEK2DHODH
SCHEMBL19100974 0.84 HSD17B10 (0.49) CNR1CNR2MCL1RXRBRXRA
SCHEMBL14783963 0.84 PTGER2 (0.50) CNR1CNR2DHODHPTGER2
SCHEMBL4602324 0.82 ALDH1A1 (0.55) MCL1NEK2
SCHEMBL4602277 0.81 AKR1C2 (0.57) CNR1CNR2MCL1DHODH
SCHEMBL9191728 0.80 CNR1 (0.59) CNR1CNR2MCL1DHODH
SCHEMBL4600982 0.80 NEK2 (0.46) CNR1CNR2NEK2DHODH
SCHEMBL4601727 0.79 DHODH (0.59) CNR1CNR2DHODH
SCHEMBL11691795 0.78 MCL1 (0.73) MCL1PRMT5WDR77
SCHEMBL4601016 0.78 NEK2 (0.52) CNR1CNR2NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CNR1 168/4885CNR2 127/4885MCL1 4302/4885

“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.