SCHEMBL13490816

SCHEMBL13490816

CCc1cc(OC)cc(OCCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.54
▸ PPARG P37231 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ FFAR4 Q5NUL3 3/20 0.50
▸ CNR1 P21554 8/20 0.47
▸ CNR2 P34972 8/20 0.47
▸ PLA2G2A P14555 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ MCL1 Q07820 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
SCHEMBL13008056 0.90 MCL1 (0.47) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL13490817 0.84 CNR1 (0.51) FFAR1PPARGPPARDPPARACNR1
SCHEMBL13490815 0.84 BRD4 (0.47) FFAR1PPARGPPARDPPARACNR1
SCHEMBL19411075 0.83 FFAR1 (0.56) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL28634310 0.82 MCL1 (0.57) FFAR1PLA2G2AMCL1
SCHEMBL22578056 0.81 MCL1 (0.61) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL12051638 0.80 RXRA (0.47) FFAR1FFAR4
SCHEMBL88959 0.78 ALDH1A1 (0.44) CNR1CNR2
SCHEMBL13490807 0.78 CNR1 (0.44) CNR1CNR2
SCHEMBL88961 0.78 ALDH1A1 (0.48) CNR1CNR2PLA2G2A

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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 — — 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE FFAR1 4572/4885PPARG 1821/4885PPARD 865/4885

“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