SCHEMBL31222435

SCHEMBL31222435

Clc1cc2ccccc2c2c1ccc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ CYP2A6 P11509 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ CYP1A2 P05177 3/20 0.48
▸ HPRT1 P00492 3/20 0.48
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ CASP1 P29466 1/20 0.45

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
SCHEMBL24655507 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL24372659 0.87 HSD17B10 (0.56) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL31222433 0.87 HSD17B10 (0.56) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL24656655 0.83 CYP2A6 (0.50) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL31222429 0.83 CYP2A6 (0.50) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL3341788 0.78 HPRT1 (0.67) ALDH1A1L3MBTL1CYP2A6HSD17B10HIF1A
SCHEMBL4847084 0.78 HPRT1 (0.67) ALDH1A1L3MBTL1CYP2A6HSD17B10HIF1A
SCHEMBL29517920 0.78 HPRT1 (0.67) ALDH1A1L3MBTL1CYP2A6HSD17B10HIF1A
SCHEMBL18915103 0.78 CYP1A2 (0.43) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT
SCHEMBL31222434 0.77 CYP2A6 (0.58) ALDH1A1L3MBTL1CYP2A6HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300926-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2024-09-12 — — 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-20240300926-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CYP1A1, AHR, CYP1B1 ALDH1A1 234/4885L3MBTL1 653/4885CYP2A6 177/4885

“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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