SCHEMBL17383065

SCHEMBL17383065

Brc1cc2ccccc2c2c1sc1c3ccccc3ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 6/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ CYP1A1 P04798 5/20 0.43
▸ NQO2 P16083 2/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ CYP1A2 P05177 5/20 0.39
▸ HPRT1 P00492 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL21234342 0.84 ALDH1A1 (0.38) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL17382483 0.81 HSD17B10 (0.44) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL17383075 0.81 ALDH1A1 (0.38) CYP1B1HSD17B10ALDH1A1HIF1ANQO2
SCHEMBL14951318 0.81 PTPN1 (0.46) CYP1B1HSD17B10ALDH1A1HIF1ANQO2
SCHEMBL17207329 0.80 ALDH1A1 (0.34) CYP1B1HSD17B10ALDH1A1HIF1ANQO2
SCHEMBL18810717 0.79 HSD17B10 (0.46) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL18902858 0.79 HPRT1 (0.46) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL17383070 0.79 CYP1B1 (0.45) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL17382949 0.79 CYP1B1 (0.40) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1
SCHEMBL31747789 0.78 CYP1B1 (0.42) CYP1B1HSD17B10ALDH1A1HIF1ACYP1A1

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
WO-2020071721-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-09 — — WO disclosed
WO-2020071722-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-09 — — WO disclosed
US-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — US disclosed
US-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — US disclosed
WO-2015194791-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-23 — — WO 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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 CYP1B1 1355/4885HSD17B10 2482/4885ALDH1A1 436/4885

“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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