SCHEMBL17050508

SCHEMBL17050508

CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00
ACACA Q13085 13/20 1.00
CYP2C9 P11712 8/20 1.00
CYP2C19 P33261 3/20 1.00
CYP3A4 P08684 2/20 0.54

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
SCHEMBL17050510 0.88 ACACB (0.83) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL17050509 0.88 ACACB (0.81) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL17050517 0.88 ACACB (0.87) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL17050504 0.88 ACACB (1.00) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL17050516 0.87 ACACB (1.00) ACACBACACACYP2C9CYP2C19
SCHEMBL17050511 0.86 ACACB (0.79) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL17050513 0.84 ACACB (0.73) ACACBACACACYP2C9CYP2C19CYP3A4
SCHEMBL1619864 0.83 ACACB (1.00) ACACBACACACYP2C9CYP2C19
SCHEMBL1619861 0.83 ACACB (1.00) ACACBACACACYP2C9CYP2C19
SCHEMBL17050512 0.83 ACACB (0.73) ACACBACACACYP2C9CYP2C19CYP3A4

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 2/4885ACACA 10/4885CYP2C9 524/4885

“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.