SCHEMBL12549094

SCHEMBL12549094

CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.72
▸ ESR1 P03372 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ ESR2 Q92731 1/20 0.72
▸ PTPN1 P18031 1/20 0.68
▸ CBS P35520 1/20 0.68
▸ CDK5 Q00535 1/20 0.68
▸ CDK5R1 Q15078 1/20 0.68
▸ PARP1 P09874 11/20 0.62
▸ PARP2 Q9UGN5 11/20 0.62
▸ ABCB1 P08183 1/20 0.60
▸ APP P05067 1/20 0.60

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
SCHEMBL19353997 0.87 PARP1 (0.65) PDE5AESR1PDE4DESR2PARP1
SCHEMBL1231403 0.84 PDE4D (1.00) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL29808504 0.84 PDE4D (1.00) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL3173991 0.82 PDE5A (0.62) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL14066713 0.82 CBS (0.74) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL476215 0.81 CBS (0.78) PDE5AESR1PDE4DESR2PTPN1
Cupressuflavone SCHEMBL505213 0.81 CBS (1.00) PDE5AESR1PDE4DESR2PTPN1
Cupressuflavone SCHEMBL31670258 0.81 CBS (1.00) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL28986431 0.81 CBS (0.78) PDE5AESR1PDE4DESR2PTPN1
SCHEMBL29435853 0.81 CBS (0.78) PDE5AESR1PDE4DESR2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135774-A1 Process for Preparing a Plant Extract of Passiflora Alata and Use of Said Extract in Cosmetic and Pharmaceutical Compositions UNIVERSIDADE FEDERAL DE SANTA CATARINA (BR) 2011-06-09 — — 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-20110135774-A1 Process for Preparing a Plant Extract of Passiflora Alata and Use of Said Extract in Cosmetic and Pharmaceutical Compositions CUTA, PGA5, APRT PDE5A 368/4885ESR1 4393/4885PDE4D 1309/4885

“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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