SCHEMBL10141763

SCHEMBL10141763

CCCCCCO/N=C(\C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ESR1 P03372 1/20 0.36
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 5/20 0.35
LPAR1 Q92633 2/20 0.35
NAAA Q02083 1/20 0.35
DGKA P23743 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
SCHEMBL12438113 0.92 ESR1 (0.42) LMNATSHRESR1
SCHEMBL10142035 0.79 CES2 (0.43) CES2MEN1THRBHTTKMT2A
SCHEMBL10767591 0.76 ESR1 (0.41) CES2MEN1THRBHTTKMT2A
SCHEMBL12590944 0.74
SCHEMBL2755823 0.73
SCHEMBL10073308 0.73
SCHEMBL10863304 0.72 MEN1 (0.46) LMNAMEN1THRBHTTKMT2A
SCHEMBL10526906 0.71 CES2 (0.46) CES2MEN1THRBKMT2ATSHR
SCHEMBL10525095 0.71 CES2 (0.46) CES2MEN1THRBKMT2ATSHR
SCHEMBL10525099 0.71 CES2 (0.46) CES2MEN1THRBKMT2ATSHR

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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CES2 192/4885LMNA 2800/4885MEN1 4782/4885

“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.