SCHEMBL4600982

SCHEMBL4600982

COc1cc(-c2cc(C)c(OC)c(C(=O)O)c2)cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.46
DHODH Q02127 3/20 0.42
CD274 Q9NZQ7 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL4601016 0.85 NEK2 (0.52) NEK2CNR1CNR2KDM4EALDH1A1
SCHEMBL4602362 0.85 LMNA (0.50) NEK2DHODHCD274CNR1CNR2
SCHEMBL19100974 0.82 HSD17B10 (0.49) NEK2DHODHCNR1CNR2KDM4E
SCHEMBL4602511 0.80 CFD (0.50) CD274KDM4ELMNAMAPK1HTT
SCHEMBL4601050 0.80 CNR1 (0.47) NEK2DHODHCNR1CNR2
SCHEMBL4602324 0.80 ALDH1A1 (0.55) NEK2KDM4EMAPK1RAB9AALDH1A1
SCHEMBL14783963 0.76 PTGER2 (0.50) DHODHCNR1CNR2
SCHEMBL9191728 0.75 CNR1 (0.59) DHODHCNR1CNR2KDM4EALDH1A1
SCHEMBL4602660 0.74 TSHR (0.47) NEK2KDM4EHSD17B10
SCHEMBL4601662 0.74 CFD (0.43) CD274KDM4ELMNAMAPK1HTT

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 3379/4885DHODH 3439/4885CD274 4701/4885

“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.