SCHEMBL18719429

SCHEMBL18719429

Cc1cc(C)c(C(=O)/C=C/C(=O)c2sc(C)cc2C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 4/20 0.36
PKM P14618 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 9/20 0.35
HPGD P15428 4/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 3/20 0.35
ATM Q13315 3/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NLRP1 Q9C000 1/20 0.35
NTSR1 P30989 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
DAO P14920 2/20 0.33

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
SCHEMBL102004 0.77 ALDH1A1 (0.40) POLBNPSR1PKMRXFP1ALDH1A1
SCHEMBL5104631 0.77 PKM (0.52) POLBNPSR1PKMRXFP1ALDH1A1
SCHEMBL7965972 0.76 IKBKB (0.42) POLBNPSR1PKMRXFP1ALDH1A1
SCHEMBL3057931 0.76 PKM (0.37) NPSR1PKMRXFP1ALDH1A1HPGD
SCHEMBL26242811 0.72 ALOX15 (0.37) NPSR1PKMRXFP1ALDH1A1HPGD
SCHEMBL2027674 0.72 MAPT (0.47) NPSR1PKMRXFP1ALDH1A1HPGD
SCHEMBL17077939 0.71 GSK3B (0.52) NPSR1PKMRXFP1ALDH1A1HPGD
SCHEMBL2028240 0.69 ALOX15 (0.61) NPSR1PKMALDH1A1HPGDLMNA
SCHEMBL27402601 0.68 PKM (0.34) NPSR1PKMRXFP1ALDH1A1LMNA
SCHEMBL12195825 0.68 NPC1 (0.47) PKMALDH1A1HPGDLMNAKMT2A

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-20170104160-A1 ORGANIC SEMICONDUCTING COMPOUNDS AND RELATED OPTOELECTRONIC DEVICES USINVEST LLC 2017-04-13 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-20170104160-A1 ORGANIC SEMICONDUCTING COMPOUNDS AND RELATED OPTOELECTRONIC DEVICES AQP4, EPCAM, ORAI2 POLB 1969/4885NPSR1 4207/4885PKM 984/4885

“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.