SCHEMBL4601029

SCHEMBL4601029

CC(C)Oc1ccc(-c2ccc3c(c2)OCO3)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.49
CTNNB1 P35222 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MC4R P32245 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TP53 P04637 1/20 0.45
DHODH Q02127 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EDNRB P24530 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
SCHEMBL4601459 0.85 TSHR (0.60) CFDCTNNB1TSHRKDM4EMEN1
SCHEMBL4602098 0.77 PDE4A (0.48) CFDCTNNB1TSHRKDM4EMEN1
SCHEMBL4012947 0.76 ALDH1A1 (0.52) CFDKDM4ENPC1RAB9AALDH1A1
SCHEMBL7804542 0.74 CFD (0.47) CFDCTNNB1TSHRKDM4EMEN1
SCHEMBL4617281 0.74 AKR1C2 (0.51) CFDKDM4EPOLBPPARGNPSR1
SCHEMBL4601434 0.74 RXRA (0.50) CFDKDM4EDHODHALDH1A1
SCHEMBL4600759 0.73 LMNA (0.51) CFDKDM4ERAB9AALDH1A1MAPK1
SCHEMBL4615330 0.73 CFD (0.48) CFDKDM4EMEN1KMT2ATP53
SCHEMBL4600486 0.73 CFD (0.48) CFDALDH1A1
SCHEMBL4600641 0.73 KDM4E (0.48) CTNNB1GABRA1GABRB2TSHRKDM4E

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 CFD 1224/4885CTNNB1 4809/4885GABRA1 1781/4885

“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.