SCHEMBL12623222

SCHEMBL12623222

c1ccc(-c2oc3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.40
▸ PLA2G4A P47712 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ ESR1 P03372 6/20 0.36
▸ ESR2 Q92731 6/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL12623218 0.96 PLA2G2A (0.41) PLA2G2APLA2G4AANO1ABCG2HSD17B1
SCHEMBL29598588 0.87 PLA2G2A (0.43) PLA2G2APLA2G4AABCG2PTGS2ALDH1A1
SCHEMBL22954101 0.87 PLA2G2A (0.43) PLA2G2APLA2G4AABCG2PTGS2ALDH1A1
SCHEMBL12623241 0.86 ENPP3 (0.41) PLA2G2APLA2G4AABCG2ALDH1A1MAPT
SCHEMBL23426633 0.85 GPR84 (0.40) ABCG2HSD17B1HSD17B2PGRGPR84
SCHEMBL12623253 0.85 PLA2G2A (0.43) PLA2G2APLA2G4AABCG2PTGS2ALDH1A1
SCHEMBL21131860 0.85 HCRTR1 (0.38) ANO1HSD17B1HSD17B2PGRGPR84
SCHEMBL27010125 0.85 PLA2G2A (0.41) PLA2G2APLA2G4AANO1ABCG2HSD17B1
SCHEMBL20650026 0.84 ESR1 (0.39) PLA2G2APLA2G4AHSD17B1HSD17B2GPR84
SCHEMBL24173706 0.84 PLA2G2A (0.38) PLA2G2APLA2G4AANO1HSD17B1HSD17B2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150162536-A1 ELECTROACTIVE MATERIALS DU PONT (US) 2015-06-11 — — US disclosed
US-20150162536-A1 ELECTROACTIVE MATERIALS DU PONT (US) 2015-06-11 — — US disclosed
US-8992800-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-31 — — US disclosed
US-8992800-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-31 — — US disclosed
US-20130248835-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-20130248835-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-8460583-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-11 — — US disclosed
US-8460583-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-11 — — US disclosed
US-20130001539-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-03 — — US disclosed
US-20130001539-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-03 — — US disclosed
US-8308988-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 — — US disclosed
US-8308988-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 — — US disclosed
US-20110101310-A1 ELECTROACTIVE MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY 2011-05-05 — — US disclosed
US-20110101310-A1 ELECTROACTIVE MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY 2011-05-05 — — 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 (3 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-20150162536-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 PLA2G2A 2947/4885PLA2G4A 3726/4885ANO1 734/4885
US-20130001539-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 PLA2G2A 2947/4885PLA2G4A 3726/4885ANO1 734/4885
US-20110101310-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 PLA2G2A 2947/4885PLA2G4A 3726/4885ANO1 734/4885

“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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