SCHEMBL16749004

SCHEMBL16749004

CCOC(=O)C1(C)CCCC(OS(C)(=O)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.33
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
VDR P11473 1/20 0.31
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL17500452 0.85 BRD4 (0.35) VDRBRD4SMN1; SMN2CYP3A4CYP2D6
SCHEMBL26698693 0.82 VDR (0.35) F10CES2CES1VDRBRD4
SCHEMBL712214 0.81 FFAR3 (0.36) VDR
SCHEMBL29635887 0.79 F10 (0.40) F10CES2CES1BRD4SMN1; SMN2
SCHEMBL22516380 0.79 F10 (0.40) F10CES2CES1BRD4SMN1; SMN2
SCHEMBL22516378 0.79 F10 (0.40) F10CES2CES1BRD4SMN1; SMN2
SCHEMBL14154941 0.79 F10 (0.40) F10CES2CES1BRD4SMN1; SMN2
SCHEMBL11302329 0.76 CYP1A2 (0.44) F10CES2CES1BRD4SMN1; SMN2
SCHEMBL16167662 0.75 NPSR1 (0.36) VDR
SCHEMBL1543229 0.75 F10 (0.36) F10CES2CES1BRD4SMN1; SMN2

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-9487483-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-11-08 US disclosed
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-28 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-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 F10 117/4885CES2 4015/4885CES1 2203/4885

“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.