SCHEMBL4615367

SCHEMBL4615367

COc1cccc(-c2ccc(OC(C)C)c(C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
DHODH Q02127 4/20 0.50
CFD P00746 1/20 0.47
HSD17B1 P14061 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4603073 0.87 KDM4E (0.61) KDM4EPOLBDHODHCFDHSD17B1
SCHEMBL4601434 0.83 RXRA (0.50) RXRARXRBKDM4EDHODHCFD
SCHEMBL4617281 0.83 AKR1C2 (0.51) RXRARXRBKDM4EPOLBDHODH
SCHEMBL4012947 0.83 ALDH1A1 (0.52) KDM4ECFDALDH1A1HPGDSMN1; SMN2
SCHEMBL4602467 0.82 RXRA (0.59) RXRARXRBDHODHCFDFFAR4
SCHEMBL3933361 0.81 RXRA (0.57) RXRARXRBKDM4EPOLBDHODH
SCHEMBL3946016 0.80 KDM4E (0.53) KDM4EPOLBDHODHCFDHSD17B1
SCHEMBL4600759 0.80 LMNA (0.51) RXRARXRBKDM4ECFDFFAR1
SCHEMBL4615330 0.80 CFD (0.48) KDM4ECFDLMNAALDH1A1SMN1; SMN2
SCHEMBL4603210 0.79 PTPN11 (0.62) RXRARXRBKDM4EPOLBDHODH

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 RXRA 1256/4885RXRB 1669/4885KDM4E 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.