SCHEMBL4601434

SCHEMBL4601434

CC(C)Oc1ccc(-c2cccc(O)c2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
CFD P00746 1/20 0.49
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
DHODH Q02127 2/20 0.46
ACMSD Q8TDX5 2/20 0.45
PTPN11 Q06124 2/20 0.45
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 3/20 0.44
DHFR P00374 1/20 0.44
HNF4A P41235 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ADAMTS4 O75173 1/20 0.42
IRAK4 Q9NWZ3 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
SCHEMBL4617281 0.86 AKR1C2 (0.51) RXRARXRBCFDDHODHPTPN11
SCHEMBL4615367 0.83 RXRA (0.58) RXRARXRBCFDDHODHHSD17B1
SCHEMBL4012947 0.79 ALDH1A1 (0.52) CFDMCL1ALDH1A1MKNK1MKNK2
SCHEMBL4602661 0.78 PTPN11 (0.65) CFDADRB1ADRB3DHODHACMSD
SCHEMBL6002565 0.77 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9MKNK1
SCHEMBL3944255 0.77 ACMSD (0.45) CFDDHODHACMSDPTPN11HSD17B1
SCHEMBL28147599 0.76 HSD17B1 (0.59) DHODHACMSDHSD17B1HSD17B2CYP3A4
SCHEMBL4600486 0.76 CFD (0.48) RXRARXRBCFDADRB1ADRB3
SCHEMBL4600759 0.76 LMNA (0.51) RXRARXRBCFDMCL1ALDH1A1
SCHEMBL4615330 0.76 CFD (0.48) CFDMCL1ALDH1A1KDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 RXRA 1256/4885RXRB 1669/4885CFD 1224/4885

“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.