SCHEMBL17387356

SCHEMBL17387356

O=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 8/20 0.78
▸ ESR1 P03372 4/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ CACNA1G O43497 2/20 0.78
▸ MAPT P10636 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ ATM Q13315 1/20 0.78
▸ NPSR1 Q6W5P4 1/20 0.78
▸ ACHE P22303 2/20 0.68
▸ PTGS2 P35354 2/20 0.68
▸ TP53 P04637 1/20 0.68
▸ MDM2 Q00987 1/20 0.68
▸ MEN1 O00255 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ APEX1 P27695 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ CACNA1B Q00975 1/20 0.65
▸ APBA1 Q02410 1/20 0.65
▸ MCL1 Q07820 1/20 0.65
▸ CTDSP1 Q9GZU7 1/20 0.65

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
SCHEMBL17387051 0.90 CACNA1H (0.77) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL145713 0.88 CACNA1H (1.00) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL29394512 0.88 CACNA1H (1.00) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL145714 0.88 CACNA1H (1.00) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL22465222 0.86 CACNA1H (1.00) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL22465338 0.86 CACNA1H (1.00) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL22465737 0.84 CACNA1H (0.85) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL17387170 0.84 CACNA1H (0.78) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL15824268 0.83 ESR1 (0.77) CACNA1HESR1KMT2ACACNA1GMAPT
SCHEMBL476289 0.82 PLK1 (0.80) CACNA1HESR1KMT2ACACNA1GMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130245-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2016-05-12 — — US claimed
EP-2963030-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF Sun Yat-Sen University (CN) 2016-01-06 — — EP claimed
US-20160130245-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2016-05-12 — — US disclosed
US-20160130245-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2016-05-12 — — US disclosed
US-20160130245-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF SUN YAT-SEN UNIVERSITY (CN) 2016-05-12 — — US disclosed
EP-2963030-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF Sun Yat-Sen University (CN) 2016-01-06 — — EP disclosed
EP-2963030-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF Sun Yat-Sen University (CN) 2016-01-06 — — EP disclosed
CN-103012348-B 6,8-substituted naringenin derivative and application thereof SU WEIWEI 2015-04-08 — — CN disclosed
CN-103012348-A 6,8-substituted naringenin derivative and application thereof GUANGZHOU ZHONGTIAN KANGSHUN BIOLOG MEDICINE CO LTD 2013-04-03 — — CN 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-20160130245-A1 6,8-SUBSTITUTED NARINGENIN DERIVATIVE AND USE THEREOF CYP2C8, CYP2B6, CYP2A6 CACNA1H 2396/4885ESR1 4446/4885KMT2A 3713/4885

“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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