SCHEMBL18655707

SCHEMBL18655707

C/C=C/c1ccc2c(c1)C(=O)N(C)C2=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ CNR2 P34972 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ APP P05067 7/20 0.45
▸ HPGD P15428 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP3 P42574 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ APAF1 O14727 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
SCHEMBL21028371 0.82 APP (0.53) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL18195254 0.81 POLB (0.51) ALDH1A1CNR2HSD17B10MEN1MAPT
SCHEMBL20814168 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL10299737 0.74 NR1H3 (0.47) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL21729751 0.73 CNR2 (0.43) ALDH1A1CNR2MEN1MAPTKMT2A
SCHEMBL18906447 0.72 CNR2 (0.50) ALDH1A1CNR2MEN1KMT2AALOX15
SCHEMBL15120734 0.72 CNR2 (0.50) ALDH1A1CNR2MEN1KMT2AALOX15
SCHEMBL10053401 0.71 ALDH1A1 (0.59) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL26669939 0.70 MEN1 (0.48) CNR2MEN1KMT2A
SCHEMBL2616778 0.70 APP (0.67) ALDH1A1HSD17B10MEN1MAPTKMT2A

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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 — — 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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 ALDH1A1 2904/4885CNR2 4148/4885HSD17B10 4259/4885

“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.

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