SCHEMBL4940458

SCHEMBL4940458

CCOC(=O)C(OC(=O)Oc1cc(C=C(C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 5/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ GPR35 Q9HC97 2/20 0.56
▸ COMT P21964 2/20 0.56
▸ ABCC3 O15438 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ EGFR P00533 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ITGA4 P13612 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4940451 1.00 FTO (0.56) FTOKMT2ALMNAMEN1GPR35
SCHEMBL4934078 0.94 FTO (0.56) FTOKMT2ALMNAMEN1GPR35
SCHEMBL4934080 0.94 FTO (0.56) FTOKMT2ALMNAMEN1GPR35
SCHEMBL4937410 0.93 FTO (0.54) FTOKMT2ALMNAMEN1GPR35
SCHEMBL4937420 0.93 FTO (0.54) FTOKMT2ALMNAMEN1GPR35
SCHEMBL5323603 0.89 FTO (0.60) FTOKMT2ALMNAMEN1GPR35
SCHEMBL5323608 0.89 FTO (0.60) FTOKMT2ALMNAMEN1GPR35
SCHEMBL5327779 0.89 FTO (0.60) FTOKMT2ALMNAMEN1GPR35
SCHEMBL5327788 0.89 FTO (0.60) FTOKMT2ALMNAMEN1GPR35
SCHEMBL4935232 0.87 FTO (0.60) FTOKMT2ALMNAMEN1GPR35

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-20080103191-A1 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2008-05-01 — — 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-20080103191-A1 ENTACAPONE-DERIVATIVES ENTPD5, ENTPD3, ENTPD1 FTO 2243/4885KMT2A 4545/4885LMNA 2129/4885

“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.

Send feedback