SCHEMBL19108803

SCHEMBL19108803

c1ccc2c(c1)oc1c3ccccc3c3sc4ccccc4c3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ GPR3 P46089 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ KDM5A P29375 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALPI P09923 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL22012012 0.88 ESR2 (0.43) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL19108802 0.87 ESR2 (0.42) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL19110137 0.83 ALOX5 (0.41) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL17299623 0.83 ESR2 (0.41) ESR2ESR1GPR3KDM5AMAPT
SCHEMBL16919467 0.81 ESR2 (0.41) ESR2ESR1GPR3KDM5AMAPT
SCHEMBL20390246 0.81 CDC14B (0.37) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL22011700 0.80 ESR2 (0.40) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL20390240 0.80 LIMK1 (0.38) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL24341221 0.80 ESR2 (0.40) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL19108526 0.80 MAOA (0.48) ESR2KDM5AMAPTMEN1KMT2A

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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — US disclosed
US-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — 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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 ESR2 510/4885ESR1 153/4885GPR3 3219/4885

“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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