SCHEMBL1616082

SCHEMBL1616082

c1ccc2c(c1)ccc1c2sc2sc3c4ccccc4ccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.50
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1B1 Q16678 6/20 0.47
CYP1A1 P04798 5/20 0.47
CYP1A2 P05177 6/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41
PRNP P04156 1/20 0.38

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
SCHEMBL30154374 0.83 HPRT1 (0.57) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL13085236 0.83 HPRT1 (0.57) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL11942389 0.81 HPRT1 (0.55) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL30612521 0.78 HPRT1 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL29364375 0.78 HPRT1 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL2150778 0.78 HPRT1 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL1617130 0.77 ESR1 (0.45) CYP1B1CYP1A1CYP1A2CYP3A4
SCHEMBL21789326 0.76 HPRT1 (0.70) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL29903935 0.76 GPR3 (0.54) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL1294668 0.76 GPR3 (0.54) HPRT1HSD17B10ALDH1A1TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541602-B2 Compound, organic semiconductor material, and semiconductor device DENSO CORPORATION (JP) 2013-09-24 US disclosed
US-8541602-B2 Compound, organic semiconductor material, and semiconductor device DENSO CORPORATION (JP) 2013-09-24 US disclosed
US-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE DENSO CORPORATION (JP) 2012-04-12 US disclosed
US-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE DENSO CORPORATION (JP) 2012-04-12 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-20120088921-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR DEVICE SCO2, SPIN1, PROX1 HPRT1 2186/4885HSD17B10 2312/4885ALDH1A1 2320/4885

“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.