SCHEMBL19108950

SCHEMBL19108950

c1ccc2c(c1)oc1ccc3c(ccc4c5ccccc5sc43)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.43
▸ ESR2 Q92731 2/20 0.38
▸ MAPT P10636 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAOA P21397 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PGAM1 P18669 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ AHR P35869 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ESR1 P03372 1/20 0.37

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
SCHEMBL17930627 0.91 GPR3 (0.45) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL19108789 0.85 L3MBTL1 (0.41) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL16919551 0.84 GPR3 (0.42) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL24342046 0.83 MAPT (0.35) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL17431197 0.83 GPR3 (0.37) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL16985102 0.81 MAOA (0.54) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL19419237 0.81 ESR2 (0.46) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL15460289 0.80 ALOX5 (0.42) GPR3ESR2MAPTALDH1A1HPGD
SCHEMBL17433091 0.80 PRKDC (0.33) GPR3ESR2ALDH1A1ESR1PRKDC
SCHEMBL20821582 0.80 PARP14 (0.47) GPR3ESR2MAPTALDH1A1HPGD

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 GPR3 3219/4885ESR2 510/4885MAPT 1538/4885

“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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