SCHEMBL4602992

SCHEMBL4602992

CCOc1ccc(-c2cccc(OCCN(C)C)c2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
PTPN11 Q06124 4/20 0.52
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
ESR1 P03372 2/20 0.47
SLC6A9 P48067 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PKN2 Q16513 1/20 0.46
PIM3 Q86V86 1/20 0.46
BRSK1 Q8TDC3 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
SCHEMBL4603021 0.87 PTPN11 (0.65) RXRARXRBPTPN11DHODH
SCHEMBL4602200 0.83 PTPN11 (0.62) LMNARXRARXRBPTPN11MAPT
SCHEMBL4600995 0.83 PTPN11 (0.65) KDM4EALDH1A1LMNARXRARXRB
SCHEMBL3933361 0.83 RXRA (0.57) KDM4ELMNARXRARXRBPTPN11
SCHEMBL4602467 0.81 RXRA (0.59) ALDH1A1RXRARXRBPTPN11KMT2A
SCHEMBL1365365 0.80 RXRA (0.68) KDM4EALDH1A1LMNARXRARXRB
SCHEMBL4600417 0.80 PTPN11 (0.60) ALDH1A1LMNARXRARXRBPTPN11
SCHEMBL4603368 0.79 PTPN11 (0.59) ALDH1A1LMNARXRARXRBPTPN11
SCHEMBL2771810 0.79 CFD (0.61) KDM4EALDH1A1LMNARXRARXRB
SCHEMBL4601637 0.79 RXRA (0.53) RXRARXRBPTPN11DHODH

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 3830/4885LMNA 3198/4885

“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.