SCHEMBL4934508

SCHEMBL4934508

CCCCCN1CCc2cc(C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
SMAD3 P84022 1/20 0.48
S1PR1 P21453 1/20 0.46
HCAR3 P49019 1/20 0.45
KDM4A O75164 1/20 0.45

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
SCHEMBL845803 0.93 ALDH1A1 (0.56) ACHERARBRARGKDM4EMAPT
SCHEMBL4929256 0.90 ALDH1A1 (0.57) ACHEKDM4EMAPTTP53MEN1
SCHEMBL3349545 0.85 ACHE (0.47) ACHERARBRARGKDM4EMAPT
SCHEMBL20178650 0.84 ACHE (0.54) ACHEKDM4EMAPTTP53MEN1
SCHEMBL846838 0.83 MAPT (0.51) ACHERARBRARGKDM4EMAPT
SCHEMBL13170391 0.83 ACHE (0.48) ACHERARBRARGKDM4EMAPT
SCHEMBL847263 0.81 PDK1 (0.50) ACHERARBRARGKDM4EMAPT
SCHEMBL27611271 0.80 ACHE (0.57) ACHEKDM4EMAPTTP53MEN1
SCHEMBL16494325 0.79 S1PR1 (0.48) ACHES1PR1OPRM1OPRD1OPRK1
SCHEMBL3350583 0.78 ALDH1A1 (0.48) ACHERARBRARGKDM4EMAPT

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ACHE 2509/4885RARB 1512/4885RARG 1527/4885

“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.