SCHEMBL17050686

SCHEMBL17050686

COC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OC(C)C)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00
CYP2C9 P11712 5/20 1.00
CYP2C19 P33261 3/20 1.00
ACACA Q13085 7/20 0.82

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
SCHEMBL1619864 0.90 ACACB (1.00) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1619861 0.90 ACACB (1.00) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1619741 0.81 ACACB (0.69) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1619743 0.81 ACACB (0.69) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1620134 0.81 ACACB (0.72) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1620131 0.81 ACACB (0.72) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1619812 0.79 ACACB (0.70) ACACBCYP2C9CYP2C19ACACA
SCHEMBL1619805 0.79 ACACB (0.70) ACACBCYP2C9CYP2C19ACACA
SCHEMBL17050685 0.79 ACACB (0.66) ACACBCYP2C9CYP2C19ACACA
SCHEMBL17050516 0.78 ACACB (1.00) ACACBCYP2C9CYP2C19ACACA

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885CYP2C9 524/4885CYP2C19 660/4885

“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.