SCHEMBL4600486

SCHEMBL4600486

Cc1cc(-c2ccc(OC(C)C)c(C(=O)O)c2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.48
MCL1 Q07820 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 1/20 0.41
XDH P47989 3/20 0.41
IDO1 P14902 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KMO O15229 1/20 0.38
MPL P40238 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4600759 0.83 LMNA (0.51) CFDMCL1ALDH1A1RXRARXRB
SCHEMBL3695520 0.82 CFD (0.74) CFDMCL1ALDH1A1RXRARXRB
SCHEMBL4601662 0.79 CFD (0.43) CFDMCL1ALDH1A1RXRARXRB
SCHEMBL4617281 0.79 AKR1C2 (0.51) CFDMCL1ALDH1A1RXRARXRB
SCHEMBL4012947 0.78 ALDH1A1 (0.52) CFDMCL1ALDH1A1XDHIDO1
SCHEMBL28091356 0.77 ALDH1A1 (0.50) CFDALDH1A1XDHIDO1ADRB1
SCHEMBL4601903 0.76 PDE4A (0.51) CFDFFAR4KMO
SCHEMBL11691795 0.76 MCL1 (0.73) MCL1ALDH1A1MPL
SCHEMBL4601434 0.76 RXRA (0.50) CFDMCL1ALDH1A1RXRARXRB
SCHEMBL17908023 0.76 CSNK2A1 (0.52) CFDFFAR4ALDH1A1XDHIDO1

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 1224/4885MCL1 4302/4885FFAR4 354/4885

“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.