SCHEMBL19108802

SCHEMBL19108802

c1ccc2c(c1)oc1c2c2ccccc2c2sc3ccccc3c12

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 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AHR P35869 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PGAM1 P18669 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL19108803 0.87 ESR2 (0.42) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL18790515 0.82 ESR2 (0.39) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL22012012 0.81 ESR2 (0.43) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL22010894 0.81 ALOX5 (0.41) ESR2ESR1TNKSTNKS2MEN1
SCHEMBL19110135 0.80 ALOX5 (0.41) ESR2ESR1PTPN1
SCHEMBL24341096 0.80 ESR2 (0.38) ESR2ESR1MAPTMEN1RAB9A
SCHEMBL17930627 0.79 GPR3 (0.45) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL19110098 0.79 PRKDC (0.40) ESR2ESR1MAPTMEN1RAB9A
SCHEMBL19108952 0.79 LIMK1 (0.38) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL24557537 0.78 ESR2 (0.41) ESR2ESR1GPR3TNKSTNKS2

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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