SCHEMBL4601016

SCHEMBL4601016

COc1cc(-c2cc(C)c(OC)c(C(=O)O)c2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.52
PKM P14618 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ADORA3 P0DMS8 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
TPMT P51580 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL19100974 0.90 HSD17B10 (0.49) NEK2KDM4ECNR1CNR2ALDH1A1
SCHEMBL4602324 0.88 ALDH1A1 (0.55) NEK2KDM4EADORA3ERN1ALDH1A1
SCHEMBL4600982 0.85 NEK2 (0.46) NEK2KDM4ECNR1CNR2ALDH1A1
SCHEMBL9191728 0.82 CNR1 (0.59) KDM4ECNR1CNR2ALDH1A1HPGD
SCHEMBL4602362 0.81 LMNA (0.50) NEK2CNR1CNR2ERN1MAPT
SCHEMBL4602843 0.80 CFD (0.56) NEK2PKMKDM4EALDH1A1HSD17B10
SCHEMBL4602277 0.80 AKR1C2 (0.57) KDM4ECNR1CNR2ALDH1A1HSD17B10
SCHEMBL8855380 0.78 HSD17B10 (0.40) NEK2PKMKDM4ECNR1CNR2
SCHEMBL4601050 0.78 CNR1 (0.47) NEK2CNR1CNR2
SCHEMBL4601727 0.78 DHODH (0.59) KDM4EADORA3CNR1CNR2ALDH1A1

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 NEK2 3379/4885PKM 3486/4885KDM4E 2399/4885

“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.