SCHEMBL13491998

SCHEMBL13491998

CCC(C)Cc1ccccc1CCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.52
CYSLTR1 Q9Y271 7/20 0.52
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LTB4R Q15722 5/20 0.46
F13A1 P00488 3/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL13544025 0.88 KEAP1 (0.44) CYSLTR2CYSLTR1CYP4F2CYP4A11
SCHEMBL10203390 0.86 MAPT (0.54) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL10289860 0.82 MAPT (0.61) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL12086495 0.81 LTB4R (0.63) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL27262058 0.81 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL25170031 0.81 CYSLTR2 (0.68) CYSLTR2CYSLTR1
SCHEMBL22826566 0.80 MAPT (0.67) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL10203389 0.80 HDAC3 (0.52) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL13491999 0.79 MAPT (0.57) CYSLTR2CYSLTR1MAPTRXFP1LTB4R
SCHEMBL9529521 0.78 FFAR4 (0.69) CYSLTR2CYSLTR1LTB4R

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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 CYSLTR2 2705/4885CYSLTR1 1922/4885MAPT 2812/4885

“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.