SCHEMBL5580883

SCHEMBL5580883

COCOc1cccc(-c2cccc(Cc3noc(=O)[nH]3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 9/20 0.46
▸ FYN P06241 1/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL5580766 0.81 FYN (0.40) FYNBRD4ADORA2AADORA1GRIN1
SCHEMBL21729201 0.80 PLA2G2A (0.51) PLA2G2A
SCHEMBL9911076 0.76 PLA2G2A (0.48) PLA2G2A
SCHEMBL14512236 0.74 PLAT (0.37) PLA2G2AGRIN1GRIN2B
SCHEMBL5580719 0.73 FYN (0.40) FYNADORA2AADORA1PDE10ADRD2
SCHEMBL21729183 0.72 DAO (0.46) PLA2G2ABRD4
SCHEMBL9911070 0.71 HTT (0.60) PLA2G2AALDH1A1
SCHEMBL11838787 0.70 PLA2G2A (0.54) PLA2G2A
SCHEMBL21729202 0.70 PLA2G2A (0.65) PLA2G2A
SCHEMBL5580811 0.70 CFD (0.53) FYNGRIN1GRIN2B

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-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 — — US disclosed
EP-1604971-A1 CINNAMYL ALCOHOL DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 — — EP 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-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient LPL, GPR119, EBP PLA2G2A 4117/4885FYN 1650/4885BRD4 1102/4885

“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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