SCHEMBL4600641

SCHEMBL4600641

COc1c(C)cc(-c2ccc3c(c2)OCO3)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
CTNNB1 P35222 1/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 3/20 0.47
ERN1 O75460 1/20 0.47
DHODH Q02127 1/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGER4 P35408 1/20 0.46

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
SCHEMBL4601459 0.81 TSHR (0.60) KDM4EALDH1A1CTNNB1TP53ERN1
SCHEMBL19100974 0.79 HSD17B10 (0.49) KDM4EALDH1A1HPGDDHODHHSD17B10
SCHEMBL4601050 0.77 CNR1 (0.47) DHODHMCL1
SCHEMBL4602324 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HPGDERN1HSD17B10
SCHEMBL4602277 0.75 AKR1C2 (0.57) KDM4EALDH1A1HPGDDHODHHSD17B10
SCHEMBL9191728 0.75 CNR1 (0.59) KDM4EALDH1A1HPGDDHODHPTGER4
SCHEMBL4601727 0.74 DHODH (0.59) KDM4EALDH1A1HPGDDHODHPOLB
SCHEMBL4602362 0.74 LMNA (0.50) ERN1DHODHMAPTMAPK1TDP1
SCHEMBL4601016 0.73 NEK2 (0.52) KDM4EALDH1A1HPGDPKMERN1
SCHEMBL4736272 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDCTNNB1PKM

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 KDM4E 2399/4885ALDH1A1 3830/4885HPGD 2557/4885

“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.