SCHEMBL16865339

SCHEMBL16865339

Cc1ccc(/C=C/[C@@H](O)C(CO)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP13 P45452 1/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SPHK1 Q9NYA1 2/20 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
SCHEMBL16865331 0.89 PPARA (0.38) PPARAMMP13RAB9AKMT2AMAPT
SCHEMBL16865340 0.89 PPARA (0.38) PPARAMMP13RAB9AKMT2AMAPT
SCHEMBL17072192 0.83 CYP3A4 (0.35) PPARACYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL17072190 0.83 CYP3A4 (0.35) PPARACYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL17072191 0.83 CYP3A4 (0.35) PPARACYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL16865338 0.81 CTDSP1 (0.35) PPARACYP3A4CYP2C9CYP2C19MMP13
SCHEMBL17080643 0.81 CTDSP1 (0.35) PPARACYP3A4CYP2C9CYP2C19MMP13
SCHEMBL16865359 0.81 CTDSP1 (0.35) PPARACYP3A4CYP2C9CYP2C19MMP13
SCHEMBL16865379 0.75 SPHK1 (0.42) PPARACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL16865381 0.75 SPHK1 (0.42) PPARACYP3A4CYP2C9CYP2C19MAPT

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN PPARA 191/4885CYP3A4 95/4885CYP2C9 385/4885

“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.