SCHEMBL31222433

SCHEMBL31222433

Clc1cc2ccccc2c2ccc3ccccc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ CYP1B1 Q16678 2/20 0.56
▸ CYP1A2 P05177 4/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ AHR P35869 1/20 0.55
▸ HPRT1 P00492 3/20 0.54
▸ CYP2A6 P11509 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL24372659 1.00 HSD17B10 (0.56) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL31222435 0.87 ALDH1A1 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL24655507 0.87 ALDH1A1 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL27264740 0.84 ALDH1A1 (0.48) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL31222429 0.83 CYP2A6 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL24656655 0.83 CYP2A6 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL27278968 0.81 CYP1A2 (0.48) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL17841964 0.81 HPRT1 (0.58) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL1334963 0.80 HSD17B10 (0.63) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4851786 0.79 HPRT1 (0.78) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2

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 HSD17B10 927/4885ALDH1A1 234/4885HIF1A 2166/4885

“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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