SCHEMBL22639444

SCHEMBL22639444

Oc1ccc2ccccc2c1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.58
▸ HSD17B1 P14061 4/20 0.56
▸ HSD17B2 P37059 4/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ CYP2B6 P20813 3/20 0.56
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ HPRT1 P00492 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TRPM4 Q8TD43 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL22639413 0.93 ESR1 (0.64) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL22795574 0.87 ALOX5 (0.60) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL19547909 0.81 ESR1 (0.67) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL25249013 0.80 ALOX5 (0.49) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL25634037 0.80 ALOX5 (0.53) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL619730 0.80 ESR1 (0.61) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL5005580 0.80 HSD17B1 (0.59) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL31411927 0.80 HSD17B1 (0.73) ALOX5HSD17B1HSD17B2CYP1A2CYP2C9
SCHEMBL8381351 0.80 PTPN22 (0.60) ALOX5CYP1A2CYP2C9CYP2C19PTPN22
SCHEMBL15400598 0.80 PTPN22 (0.65) ALOX5CYP1A2CYP2C9CYP2C19PTPN22

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
EP-3372593-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-12-23 — — EP disclosed
US-10833278-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2020-11-10 — — 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-10833278-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, ORC3 ALOX5 724/4885HSD17B1 1832/4885HSD17B2 1462/4885

“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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