SCHEMBL16144191

SCHEMBL16144191

Cc1cccc(F)c1CCNCCCc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.52
PPARG P37231 11/20 0.51
PPARD Q03181 3/20 0.51
ADRB3 P13945 3/20 0.50
ALDH1A1 P00352 1/20 0.43
FABP2 P12104 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 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
SCHEMBL3840876 0.82 ADRB3 (0.67) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL12328025 0.82 ADRB3 (0.67) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL2440421 0.78 PPARA (0.66) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL3848024 0.77 ADRB3 (0.73) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL12953439 0.76 PPARG (0.74) PPARAPPARGPPARDADRB3
SCHEMBL3841460 0.74 PPARA (0.59) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL4576026 0.73 PPARA (0.54) PPARAPPARGADRB3
SCHEMBL29079326 0.72 PPARA (0.60) PPARAPPARGPPARDADRB3ALDH1A1
SCHEMBL4575444 0.71 PPARA (0.75) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL12953097 0.71 PPARG (0.71) PPARAPPARGPPARDADRB3KDM4E

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-9132145-B2 Compositions and methods for treating obesity, obesity related disorders and for inhibiting the infectivity of human immunodeficiency virus NEW YORK UNIVERSITY (US) 2015-09-15 US disclosed
US-20140296141-A1 Compositions and Methods for Treating Obesity, Obesity Related Disorders and for Inhibiting the Infectivity of Human Immunodeficiency Virus THE GENERAL HOSPITAL CORPORATION (US) 2014-10-02 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-20140296141-A1 Compositions and Methods for Treating Obesity, Obesity Related Disorders and for Inhibiting the Infectivity of Human Immunodeficiency Virus LPL, ADIPOR2, EBP PPARA 24/4885PPARG 42/4885PPARD 43/4885

“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.