SCHEMBL8258778

SCHEMBL8258778

COC(=O)C1=C(C2CC2)NC(C)=C(C#N)C1c1cc(C)sc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
KLK7 P49862 1/20 0.38
CASP7 P55210 1/20 0.38
CYP1A2 P05177 3/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8252675 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1HSD17B10
SCHEMBL8258884 0.80 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1HSD17B10
SCHEMBL13587737 0.79 NR3C2 (0.49) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL8259588 0.78 NR3C2 (0.62) ALDH1A1MAPTHSD17B10SMN1; SMN2KDM4E
SCHEMBL8260705 0.77 NR3C2 (0.50) MAPTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL20954207 0.77 FFAR3 (0.40) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL13587784 0.76 NR3C2 (0.46) ALDH1A1MAPTHPGDHSD17B10CYP3A4
SCHEMBL3812166 0.76 HTT (0.43) ALDH1A1MAPTHSD17B10CYP3A4CYP2C9
SCHEMBL13587791 0.76 CACNA1C (0.46) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL20954233 0.75 CACNA1C (0.37) ALDH1A1MAPTHPGDTDP1HSD17B10

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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 US disclosed
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 ALDH1A1 3716/4885MAPT 2904/4885HPGD 553/4885

“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.