SCHEMBL3947686

SCHEMBL3947686

Nc1cccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.58
CFD P00746 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOA P21397 1/20 0.42
PTPN11 Q06124 2/20 0.41
DHODH Q02127 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ACMSD Q8TDX5 2/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.40
SYK P43405 1/20 0.40
DHFR P00374 1/20 0.40
HNF4A P41235 1/20 0.40
KMO O15229 1/20 0.38
IKBKB O14920 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL4026660 0.87 ACMSD (0.55) MCL1CFDPTPN11DHODHAKR1C2
SCHEMBL3944255 0.84 ACMSD (0.45) MCL1CFDPTPN11DHODHAKR1C2
SCHEMBL3936487 0.84 DCLRE1B (0.51) MCL1CFDPTPN11DHODHAKR1C2
SCHEMBL2651040 0.84 ALDH1A1 (0.50) MCL1CFDKDM4EKMT2AAKR1C2
SCHEMBL4046170 0.83 DCLRE1B (0.50) CFDPTPN11DHODHAKR1C2AKR1C1
SCHEMBL3937100 0.83 KDM4E (0.47) MCL1CFDKDM4EKMT2ARXFP1
SCHEMBL4038391 0.81 ACMSD (0.60) CFDPTPN11DHODHACMSDIKBKB
SCHEMBL3946016 0.81 KDM4E (0.53) CFDKDM4EDHODH
SCHEMBL4042656 0.81 PTPN11 (0.51) CFDPTPN11AKR1C2IGF2BP2SYK
SCHEMBL4043212 0.80 XDH (0.58) CFDDHODHIKBKB

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
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT MCL1 3515/4885CFD 792/4885KDM4E 750/4885

“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.