SCHEMBL25799088

SCHEMBL25799088

Clc1ccccc1-c1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
TRPA1 O75762 1/20 0.49
CYP1B1 Q16678 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 4/20 0.47
HPRT1 P00492 1/20 0.46
TNKS2 Q9H2K2 1/20 0.45
ABL1 P00519 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL28826635 0.91 CYP1B1 (0.50) BACE1TRPA1CYP1B1ALDH1A1HSD17B10
SCHEMBL29800497 0.91 CYP1B1 (0.50) BACE1TRPA1CYP1B1ALDH1A1HSD17B10
SCHEMBL31358639 0.87 BACE1 (0.46) BACE1TRPA1CYP1B1ALDH1A1HSD17B10
SCHEMBL28888937 0.85 HPRT1 (0.52) BACE1CYP1B1ALDH1A1HSD17B10CYP1A1
SCHEMBL25912390 0.84 ALDH1A1 (0.48) BACE1CYP1B1ALDH1A1HSD17B10HIF1A
SCHEMBL25912368 0.84 HPRT1 (0.47) BACE1CYP1B1ALDH1A1HSD17B10HIF1A
SCHEMBL17414736 0.84 BACE1 (0.59) BACE1TRPA1CYP2A6ABL1ESR1
SCHEMBL31358636 0.84 CYP1A2 (0.43) BACE1TRPA1CYP1B1ALDH1A1HSD17B10
SCHEMBL26021734 0.83 CYP2A6 (0.54) BACE1TRPA1CYP1B1ALDH1A1HSD17B10
SCHEMBL25912566 0.83 CYP1A2 (0.47) BACE1CYP1B1ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696501-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-04 US disclosed
US-20230125420-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-04-27 US disclosed
US-20230125420-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-04-27 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 (2 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-11696501-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, AGO2, AOC2 BACE1 821/4885TRPA1 138/4885CYP1B1 922/4885
US-20230125420-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ETV6 BACE1 1606/4885TRPA1 104/4885CYP1B1 3243/4885

“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.