SCHEMBL16940468

SCHEMBL16940468

CCCC(=O)C(=O)CC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.63
CES2 O00748 7/20 0.63
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CTSD P07339 1/20 0.33
CA1 P00915 1/20 0.33
HSD17B3 P37058 1/20 0.32

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
SCHEMBL14914212 0.83 HMGCR (0.40) CES1CES2TSHRALDH1A1CA1
SCHEMBL108642 0.80 CES1 (1.00) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL1462669 0.79 CES2 (0.63) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL4641457 0.79 CES2 (0.35) CES1CES2
SCHEMBL4644054 0.77 CES2 (0.33) CES1CES2CA1
SCHEMBL269663 0.76 CES2 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL4645363 0.75 CES1 (0.40) CES1CES2
SCHEMBL4645784 0.73 CES1 (0.42) CES1CES2
SCHEMBL4643992 0.73 CES1 (0.39) CES1CES2
SCHEMBL4647346 0.72 OR51E2 (0.38) TSHR

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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 CES1 44/4885CES2 614/4885HDAC3 1628/4885

“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.