SCHEMBL4600786

SCHEMBL4600786

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

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.73
CREBBP Q92793 2/20 0.55
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
KMT2A Q03164 1/20 0.48
CFD P00746 1/20 0.48
SLC6A9 P48067 1/20 0.46
MCHR1 Q99705 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGD P15428 1/20 0.44
S1PR3 Q99500 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL4600952 0.92 PTPN11 (0.85) PTPN11CREBBPPTPN1PTPN6KMT2A
SCHEMBL5151569 0.90 PTPN11 (0.65) PTPN11CREBBPKMT2ACFDHDAC1
SCHEMBL14611096 0.89 PTPN11 (0.58) PTPN11CREBBPKMT2ASLC6A9MCHR1
SCHEMBL4601657 0.88 PTPN11 (0.70) PTPN11CREBBPPTPN1PTPN6CFD
SCHEMBL4601726 0.87 PTPN11 (0.68) PTPN11PTPN1PTPN6KMT2ACFD
SCHEMBL4601747 0.86 PTPN11 (0.69) PTPN11CREBBPPTPN1PTPN6KMT2A
SCHEMBL4601658 0.86 PTPN11 (0.67) PTPN11PTPN1PTPN6KMT2ACFD
SCHEMBL6196393 0.85 PTPN11 (0.57) PTPN11CREBBPPTPN1PTPN6SMN1; SMN2
SCHEMBL27245969 0.85 PTPN11 (1.00) PTPN11PTPN1PTPN6HPGDS1PR3
SCHEMBL4601762 0.84 PTPN11 (0.65) 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 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 PTPN11 3529/4885CREBBP 3977/4885PTPN1 3489/4885

“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.