SCHEMBL3944255

SCHEMBL3944255

O=C(O)c1cc(-c2cccc(O)c2)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.45
CFD P00746 1/20 0.45
AKR1C2 P52895 2/20 0.45
AKR1C1 Q04828 2/20 0.45
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 2/20 0.44
HNF4A P41235 2/20 0.44
DHFR P00374 1/20 0.44
DHODH Q02127 2/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.43
PTPN11 Q06124 1/20 0.42
HPGDS O60760 1/20 0.42
AKR1C3 P42330 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
AR P10275 1/20 0.40

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 0.88 ACMSD (0.55) ACMSDCFDAKR1C2AKR1C1MCL1
SCHEMBL3947620 0.87 AKR1C2 (0.51) ACMSDCFDAKR1C2AKR1C1AURKA
SCHEMBL3936487 0.86 DCLRE1B (0.51) ACMSDCFDAKR1C2AKR1C1MCL1
SCHEMBL3937100 0.84 KDM4E (0.47) CFDMCL1
SCHEMBL4046170 0.84 DCLRE1B (0.50) ACMSDCFDAKR1C2AKR1C1DHODH
SCHEMBL3947686 0.84 MCL1 (0.58) ACMSDCFDAKR1C2AKR1C1MCL1
SCHEMBL27051469 0.83 CA12 (0.50) CFDAKR1C2AKR1C1AURKATPX2
SCHEMBL4042656 0.82 PTPN11 (0.51) CFDAKR1C2CYP2C9IGF2BP2PTPN11
SCHEMBL4038391 0.82 ACMSD (0.60) ACMSDCFDDHODHPTPN11
SCHEMBL3946016 0.82 KDM4E (0.53) CFDHSD17B1DHODHHCAR2

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 5 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
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 ACMSD 336/4885CFD 792/4885AKR1C2 1308/4885

“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.