SCHEMBL31336684

SCHEMBL31336684

Brc1ccc(-c2cc3ccccc3c3ccccc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TRPM4 Q8TD43 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ HPRT1 P00492 3/20 0.41
▸ NISCH Q9Y2I1 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 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
SCHEMBL12038878 1.00 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL24275660 0.90 ALDH1A1 (0.52) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL16683257 0.82 CYP1A2 (0.45) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL13631896 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1MAPK1L3MBTL1CYP1B1
SCHEMBL7905250 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL13632075 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1MAPK1L3MBTL1CYP1B1
SCHEMBL13631978 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1MAPK1L3MBTL1CYP1B1
SCHEMBL29637136 0.82 ALDH1A1 (0.60) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL30052553 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1MAPK1L3MBTL1CYP1B1
SCHEMBL623432 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1MAPK1L3MBTL1CYP1B1

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
US-20250331420-A1 Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-10-23 — — US disclosed
CN-113861042-B Compound and application thereof 北京鼎材科技有限公司 2024-11-22 — — 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-20250331420-A1 Organic Compound CRY1, CYP1A1, OXER1 CYP1A2 78/4885ALDH1A1 512/4885HSD17B10 746/4885

“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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