SCHEMBL4600995

SCHEMBL4600995

CCCOc1cccc(-c2ccc(OCCC)c(C(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.65
KMT2A Q03164 1/20 0.57
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
SLC13A5 Q86YT5 1/20 0.51
DHODH Q02127 1/20 0.50
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MPL P40238 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
FABP1 P07148 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL4602200 0.95 PTPN11 (0.62) PTPN11KMT2APTPN1PTPN6RXRA
SCHEMBL4603210 0.92 PTPN11 (0.62) PTPN11KMT2APTPN1PTPN6RXRA
SCHEMBL4599953 0.89 PTPN11 (0.57) PTPN11KMT2APTPN1PTPN6RXRA
SCHEMBL4601726 0.89 PTPN11 (0.68) PTPN11KMT2APTPN1PTPN6RXRA
SCHEMBL4601658 0.89 PTPN11 (0.67) PTPN11KMT2APTPN1PTPN6ALDH1A1
SCHEMBL4603021 0.88 PTPN11 (0.65) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601924 0.88 PTPN11 (0.56) PTPN11KMT2APTPN1PTPN6RXRA
SCHEMBL4602266 0.88 PTPN11 (0.64) PTPN11KMT2APTPN1PTPN6ADRB1
SCHEMBL4600952 0.86 PTPN11 (0.85) PTPN11KMT2APTPN1PTPN6LMNA
SCHEMBL4601762 0.86 PTPN11 (0.65) PTPN11KMT2APTPN1PTPN6DHODH

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 3529/4885KMT2A 916/4885PTPN1 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.