SCHEMBL13056258

SCHEMBL13056258

Cc1ccc(-c2oc3cc(O)ccc3c(=O)c2C)cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.71
▸ CYP3A4 P08684 5/20 0.71
▸ CYP2C9 P11712 4/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ TSHR P16473 1/20 0.71
▸ KDM4E B2RXH2 8/20 0.57
▸ HSD17B10 Q99714 6/20 0.57
▸ HPGD P15428 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ CASP1 P29466 5/20 0.57
▸ CASP7 P55210 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ TP53 P04637 4/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ALOX15 P16050 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CDK5 Q00535 2/20 0.56

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
SCHEMBL12378873 0.89 MEN1 (0.74) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL38663343 0.88 ALDH1A1 (0.83) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL19248907 0.86 CYP3A4 (0.75) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1627835 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10516653 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10513549 0.83 CYP3A4 (0.66) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10516343 0.83 CYP3A4 (0.66) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10666102 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10672244 0.81 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10516866 0.80 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1

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-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 — — US disclosed
US-20100189653-A1 Pyrone analogs for therapeutic treatment LIMERICK BIOPHARMA, INC. 2010-07-29 — — 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 (2 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-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT PC, PCK1, PYGL ALDH1A1 3288/4885CYP3A4 2300/4885CYP2C9 3000/4885
US-20100189653-A1 Pyrone analogs for therapeutic treatment PC, GLS2, CYP27A1 ALDH1A1 1712/4885CYP3A4 718/4885CYP2C9 1137/4885

“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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