SCHEMBL4939247

SCHEMBL4939247

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 5/20 0.39
▸ COMT P21964 4/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ ABCC3 O15438 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ LTB4R Q15722 3/20 0.32
▸ LTB4R2 Q9NPC1 3/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL4939234 0.88 COMT (0.41) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941307 0.82 FTO (0.55) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4375296 0.74 FTO (0.62) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941605 0.73 FTO (0.38) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941597 0.73 FTO (0.38) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941843 0.70 FTO (0.65) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941789 0.70 FTO (0.65) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4939244 0.69 FTO (0.61) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL14185400 0.69 FTO (0.61) FTOCOMTMEN1ABCC3ABCC4
SCHEMBL4941300 0.69 FTO (0.61) FTOCOMTMEN1ABCC3ABCC4

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 2243/4885COMT 365/4885MEN1 1023/4885

“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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