SCHEMBL22963846

SCHEMBL22963846

C=Cc1cc2ccccc2c2c1sc1ccc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ TSHR P16473 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PRNP P04156 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL21276100 0.85 POLB (0.41) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL30021275 0.83 CYP1B1 (0.40) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL21798522 0.83 CYP1B1 (0.40) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL24348211 0.80 NQO2 (0.37) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL21126019 0.78 NQO2 (0.35) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL29936650 0.78 CYP1A1 (0.38) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL18810714 0.76 ALDH1A1 (0.42) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL17382483 0.76 HSD17B10 (0.44) NQO2NQO1HSD17B10ALDH1A1HIF1A
SCHEMBL22963863 0.76 MAPT (0.40) NQO2NQO1ALDH1A1CYP1B1CYP2A6
SCHEMBL22963859 0.76 CYP1A1 (0.43) CYP1B1TDP1CYP1A2AHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022080381-A1 CURABLE COMPOSITION AND CURED FILM 住友化学株式会社 2022-04-21 — — WO disclosed
US-20210040061-A1 COMPOUND, POLYMER, AND ORGANIC MATERIAL SONY CORPORATION (JP) 2021-02-11 — — 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-20210040061-A1 COMPOUND, POLYMER, AND ORGANIC MATERIAL H1-0, H1-2, H1-10 NQO2 4082/4885NQO1 1284/4885HSD17B10 2057/4885

“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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