SCHEMBL5154682

SCHEMBL5154682

CCOc1ccc(-c2ccc(CC#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
GAA P10253 1/20 0.47
FLT3 P36888 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
GRM2 Q14416 1/20 0.43
HSD17B10 Q99714 3/20 0.42
XDH P47989 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL1235239 0.94 NQO1 (0.58) NQO1GAATSHRTDP1SMN1; SMN2
SCHEMBL10899589 0.86 CYP2D6 (0.54) TSHRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10898543 0.86 CYP3A4 (0.46) FLT3KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5450460 0.84 RELA (0.59) NQO1GAAKDM4ERAB9ANPC1
SCHEMBL5450463 0.84 RELA (0.59) NQO1GAAKDM4ERAB9ANPC1
SCHEMBL10900140 0.83 HPGD (0.52) TSHRKDM4ERAB9ANPC1ALDH1A1
SCHEMBL10899112 0.82 HPGD (0.55) TSHRKDM4ERAB9ANPC1ALDH1A1
SCHEMBL10898783 0.82 HPGD (0.55) TSHRKDM4ERAB9ANPC1ALDH1A1
SCHEMBL10900013 0.82 HPGD (0.55) TSHRKDM4ERAB9ANPC1ALDH1A1
SCHEMBL5004118 0.81 FLT3 (0.57) GAAFLT3ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-4572794-A Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-02-25 US 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 NQO1 3622/4885GAA 2559/4885FLT3 1171/4885

“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.