SCHEMBL4602004

SCHEMBL4602004

CCCOc1ccc(-c2cccc(C#N)c2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.60
XDH P47989 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.46
GRIA2 P42262 1/20 0.46
GRIA4 P48058 1/20 0.46
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
CTSA P10619 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CFD P00746 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP3 P08254 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
SCHEMBL4602889 0.90 XDH (0.58) PTPN11XDHSLC22A12PTPN1PTPN6
SCHEMBL9850686 0.86 ALDH1A1 (0.49) PTPN11PTPN1PTPN6PTGDR2KMT2A
SCHEMBL4601726 0.84 PTPN11 (0.68) PTPN11PTPN1PTPN6KMT2AALDH1A1
SCHEMBL4601658 0.84 PTPN11 (0.67) PTPN11PTPN1PTPN6KMT2AALDH1A1
SCHEMBL4600493 0.83 PTPN11 (0.62) PTPN11PTPN1PTPN6KMT2ACFD
SCHEMBL4600995 0.82 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2AALDH1A1
SCHEMBL4601762 0.82 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2ACFD
SCHEMBL4600952 0.82 PTPN11 (0.85) PTPN11PTPN1PTPN6KMT2A
SCHEMBL4602661 0.82 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2ACFD
SCHEMBL4602266 0.81 PTPN11 (0.64) PTPN11PTPN1PTPN6KMT2ACFD

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
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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 PTPN11 3529/4885XDH 2517/4885SLC22A12 2359/4885

“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.