SCHEMBL17207329

SCHEMBL17207329

Brc1cc2ccccc2c2c1sc1c(I)cccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ GRIN2D O15399 1/20 0.30

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 0.85 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17383065 0.80 CYP1B1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL14951318 0.78 PTPN1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL17383075 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL18910348 0.73 — —
SCHEMBL17207338 0.73 AHR (0.36) PDE10AAHR
SCHEMBL17382483 0.72 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL357116 0.72 PLAU (0.34) PDE10A
SCHEMBL24731794 0.72 LIMK1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17207905 0.72 GABRP (0.43) ALDH1A1HSD17B10AHR

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-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 — — US disclosed
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 — — US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 — — US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 — — 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-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER EMC2, AOC2, MCM5 ALDH1A1 610/4885HSD17B10 2005/4885HIF1A 4784/4885

“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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