SCHEMBL4599953

SCHEMBL4599953

CCCOc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.57
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC13A5 Q86YT5 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CTSA P10619 1/20 0.43
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAPT P10636 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
SCHEMBL14610855 0.90 CYP1A2 (0.46) PTPN11ALDH1A1RXRARXRBKMT2A
SCHEMBL4600995 0.89 PTPN11 (0.65) PTPN11PTPN1PTPN6ALDH1A1RXRA
SCHEMBL4602200 0.87 PTPN11 (0.62) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601299 0.85 PTPN11 (0.60) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4603210 0.84 PTPN11 (0.62) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601726 0.81 PTPN11 (0.68) PTPN11PTPN1PTPN6ALDH1A1RXRA
SCHEMBL4601658 0.81 PTPN11 (0.67) PTPN11PTPN1PTPN6ALDH1A1KMT2A
SCHEMBL4601924 0.81 PTPN11 (0.56) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4602156 0.81 PTPN11 (0.60) PTPN11PTPN1PTPN6
SCHEMBL4602266 0.81 PTPN11 (0.64) PTPN11PTPN1PTPN6KMT2A

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 3529/4885PTPN1 3489/4885PTPN6 4028/4885

“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.