SCHEMBL12377533

SCHEMBL12377533

Nc1ccc2cccc(-c3cccc4ccc(N)cc34)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.63
ALDH1A1 P00352 9/20 0.52
HSD17B10 Q99714 6/20 0.52
CYP3A4 P08684 5/20 0.52
CASP1 P29466 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX15 P16050 2/20 0.50
CASP7 P55210 2/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
PLAU P00749 2/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
RECQL P46063 1/20 0.43
HTR3A P46098 1/20 0.42
TSHR P16473 3/20 0.41

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
SCHEMBL11378957 0.86 CDK4 (0.57) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL29498396 0.81 CTDSP1 (0.63) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL729842 0.81 CTDSP1 (0.63) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL29405526 0.81 CTDSP1 (0.63) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL12774936 0.79 CTDSP1 (0.58) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL29402125 0.79 CTDSP1 (0.58) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL3989714 0.79 PTPRC (0.57) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL31530764 0.79 PTPRC (0.57) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL1758257 0.78 ALDH1A1 (0.64) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL23043133 0.77 CTDSP1 (0.59) CTDSP1ALDH1A1HSD17B10CYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2011-08-04 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-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES PNN, ADH5, NCL CTDSP1 1392/4885ALDH1A1 897/4885HSD17B10 162/4885

“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.