SCHEMBL22639413

SCHEMBL22639413

Oc1ccc2ccccc2c1-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.64
▸ ESR2 Q92731 3/20 0.64
▸ HSD17B1 P14061 8/20 0.58
▸ HSD17B2 P37059 8/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2D6 P10635 4/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ CYP2B6 P20813 4/20 0.58
▸ CYP2C19 P33261 4/20 0.58
▸ ALOX5 P09917 3/20 0.50
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ HPRT1 P00492 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ PAK1 Q13153 1/20 0.42

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
SCHEMBL22639444 0.93 ALOX5 (0.58) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL5426888 0.82 ESR1 (0.90) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19547909 0.82 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL5005580 0.81 HSD17B1 (0.59) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL619730 0.81 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL22795574 0.80 ALOX5 (0.60) ESR1ESR2HSD17B1HSD17B2CYP1A2
Ammonia Solution, Strong SCHEMBL10871253 0.80 ESR1 (0.59) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL20405192 0.79 HPRT1 (0.46) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19336433 0.79 HPRT1 (0.64) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL24804768 0.79 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP1A2

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 ESR1 53/4885ESR2 685/4885HSD17B1 1832/4885

“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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