SCHEMBL1483977

SCHEMBL1483977

O=c1cc(-c2cc(O)cc(O)c2)oc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 9/20 0.77
▸ PARP1 P09874 5/20 0.77
▸ TNKS2 Q9H2K2 5/20 0.77
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ KDM4E B2RXH2 3/20 0.77
▸ NPC1 O15118 3/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ BCHE P06276 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ ACHE P22303 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ FTO Q9C0B1 4/20 0.74
▸ CYP3A4 P08684 3/20 0.70
▸ HPGD P15428 3/20 0.70
▸ GABRP O00591 3/20 0.70
▸ GABRD O14764 3/20 0.70
▸ GABRA1 P14867 3/20 0.70
▸ GABRB1 P18505 3/20 0.70
▸ GABRG2 P18507 3/20 0.70
▸ GABRB3 P28472 3/20 0.70

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
SCHEMBL311580 0.87 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL29677954 0.87 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL29384142 0.87 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL127446 0.87 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL29773081 0.87 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
Flavone SCHEMBL27534477 0.85 TNKS (0.85) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL1883775 0.85 FTO (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL30000045 0.85 FTO (1.00) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL12829685 0.83 CYP3A4 (0.79) TNKSPARP1TNKS2SMN1; SMN2KDM4E
SCHEMBL311820 0.83 FTO (0.78) TNKSPARP1TNKS2SMN1; SMN2KDM4E

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
EP-2057137-B1 S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY]FLAVONES COUNCIL SCIENT IND RES (IN) 2013-10-23 — — EP disclosed
US-20110077294-A1 R-(-) / S-(+)-7-[3-N SUBSTITUTED AMINO-2 HYDROXYPROPOXY] FLAVONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-31 — — 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-20110077294-A1 R-(-) / S-(+)-7-[3-N SUBSTITUTED AMINO-2 HYDROXYPROPOXY] FLAVONES HTR7, PNMT, PRMT7 TNKS 3422/4885PARP1 2675/4885TNKS2 3523/4885

“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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