SCHEMBL10178552

SCHEMBL10178552

CCC(C)c1ccc(CSC)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10178487 0.82 ALDH1A1 (0.42) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178484 0.82 ESR1 (0.42) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11572605 0.82 ESR1 (0.42) ESR1ESR2NPC1RAB9A
SCHEMBL13652552 0.80 IDO1 (0.48) CYP2C9NPC1RAB9AL3MBTL1
SCHEMBL10178780 0.79 USP2 (0.39) ALDH1A1USP2GAAPKMHPGD
SCHEMBL598140 0.79 ALDH1A1 (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178574 0.79 ALDH1A1 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10178571 0.79 ALDH1A1 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9348164 0.78 TSHR (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9838746 0.78 ESR1 (0.45) ALDH1A1USP2GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124310-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20090087784-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-7220537-B2 Silver halide emulsion silver halide photographic sensitive material and method of image formation KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2007-05-22 US disclosed
US-7163784-B2 Silver halide emulsion, and silver halide color photographic material using the same KONICA MINOLTA PHOTO IMAGING, INC. (JP) 2007-01-16 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP ALDH1A1 1473/4885USP2 4070/4885GAA 1403/4885

“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.