SCHEMBL1612913

SCHEMBL1612913

[C]#Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 3/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
ASIC3 Q9UHC3 2/20 0.36
CYP2A6 P11509 4/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL1109921 0.93 CYP2A6 (0.42) ALDH1A1CYP3A4HSD17B10TDP1CYP1A2
SCHEMBL5573818 0.80 ASIC3 (0.52) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL5572006 0.80 ASIC3 (0.52) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL11126903 0.76 CYP1A1 (0.56) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL31264204 0.76 CA1 (0.57) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL2761110 0.76 CA1 (0.57) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL29826085 0.76 CA1 (0.57) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL1921032 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL5668942 0.76 CYP1A1 (0.56) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL16875675 0.76 CA1 (0.57) ALDH1A1CYP3A4HSD17B10TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4379888-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
EP-4379833-A1 NEGATIVE ELECTRODE, LITHIUM ION SECONDARY BATTERY, AND MANUFACTURING METHOD FOR LITHIUM ION SECONDARY BATTERY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
WO-2023008030-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME 信越化学工業株式会社 2023-02-02 WO disclosed
CN-101203490-B Reactive monomer and resin composition containing same AMT LAB CO LTD 2011-08-10 CN disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
CN-101203490-A Reactive monomer and resin composition containing same AMT LAB CO LTD (JP) 2008-06-18 CN 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885CYP3A4 517/4885HSD17B10 805/4885

“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.