SCHEMBL2982136

SCHEMBL2982136

COC(=O)C(C)(C)OCc1ccc(CCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.54
PPARA Q07869 2/20 0.52
CYP4F2 P78329 4/20 0.49
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
CA2 P00918 1/20 0.38
NR1H2 P55055 1/20 0.37
ESRRG P62508 1/20 0.36
CALM1 P0DP23 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13078234 0.84 PPARG (0.47) CYP4A11PPARACYP4F2EPHX2HPGD
SCHEMBL7625577 0.82 PPARA (0.73) CYP4A11PPARACYP4F2LTA4HEPHX2
SCHEMBL3511047 0.80 HTT (0.53) EPHX2NPC1RAB9A
SCHEMBL13994548 0.80 KMT2A (0.50) HPGD
SCHEMBL2716903 0.80 CYP3A4 (0.44)
SCHEMBL10349973 0.79 MEN1 (0.49) NPC1HPGDRAB9A
SCHEMBL24172240 0.78 CYP4A11 (0.57) CYP4A11PPARACYP4F2LTA4HEPHX2
SCHEMBL13042125 0.75 ACACB (0.39)
SCHEMBL2983443 0.75 CYP4F2 (0.45) CYP4A11PPARACYP4F2CA2
SCHEMBL2983440 0.75 CYP4F2 (0.45) CYP4A11PPARACYP4F2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP 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 (2 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 CYP4A11 46/4885PPARA 489/4885CYP4F2 349/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 CYP4A11 37/4885PPARA 561/4885CYP4F2 288/4885

“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.