SCHEMBL327462

SCHEMBL327462

CCCc1cccc(OCC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
CYP2D6 P10635 1/20 0.43
FAAH O00519 1/20 0.43
TRIM24 O15164 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX5 P09917 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL12040875 0.87 PPARA (0.62) PPARAPPARGCYP2D6
SCHEMBL19291755 0.87 GPBAR1 (0.48) PPARAPPARGCYP2D6CYP4F2CYP4A11
SCHEMBL322457 0.86 KDM4E (0.50) FAAHTRIM24TAAR1NR1H4
SCHEMBL7989440 0.85 TAAR1 (0.62) TAAR1AOC3
SCHEMBL8048495 0.85 CYP4F2 (0.61) PPARAPPARGFAAHTRIM24CYP4F2
SCHEMBL11806920 0.85 FAAH (0.42) PPARAPPARGFAAHTRIM24CYP4F2
SCHEMBL8048492 0.85 NR1H4 (0.46) PPARAPPARGFAAHTRIM24CYP4F2
SCHEMBL3966817 0.83 TDP1 (0.49) PPARAPPARGCYP2D6NR1H4
SCHEMBL3964848 0.83 CYP4F2 (0.44) PPARAPPARGCYP4F2CYP4A11CHRM2
SCHEMBL320945 0.82 TAAR1 (0.51) FAAHTRIM24TAAR1HIF1ANR1H4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT PPARA 1725/4885PPARG 2116/4885CYP2D6 123/4885

“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.