SCHEMBL13950481

SCHEMBL13950481

C=C(C)C1Cc2c(ccc3c2O[C@@H]2COc4cc(CO)c(CO)cc4[C@@H]2C3=O)O1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.74
▸ MAPT P10636 7/20 0.74
▸ SMN1; SMN2 Q16637 6/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ KDM4E B2RXH2 5/20 0.74
▸ CYP2C19 P33261 4/20 0.74
▸ LMNA P02545 4/20 0.74
▸ MAPK1 P28482 4/20 0.74
▸ TP53 P04637 4/20 0.74
▸ TSHR P16473 3/20 0.74
▸ TDP1 Q9NUW8 3/20 0.74
▸ USP2 O75604 3/20 0.74
▸ MT-ND4 P03905 3/20 0.74
▸ HPGD P15428 3/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ GMNN O75496 1/20 0.74
▸ ABCB11 O95342 1/20 0.74

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
SCHEMBL13056522 1.00 CYP3A4 (0.74) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13056515 0.91 CYP3A4 (0.84) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29351552 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL20152380 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29388856 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL42253 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL9815546 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13845713 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL19019920 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13926662 0.85 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E

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-20090054470-A1 USE OF MITOCHONDRIAL ELECTRON TRANSPORT INHIBITORS TO CONTROL FOULING ORGANISMS JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-26 — — 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-20090054470-A1 USE OF MITOCHONDRIAL ELECTRON TRANSPORT INHIBITORS TO CONTROL FOULING ORGANISMS MCU, IMMT, SQOR CYP3A4 1235/4885MAPT 1276/4885SMN1; SMN2 4590/4885

“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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