SCHEMBL20470599

SCHEMBL20470599

FS(F)(F)N1CCOCCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.42
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.35
TTR P02766 1/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL526119 0.97 CA12 (0.52) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL27652381 0.89 CA12 (0.46) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL26560789 0.77 CA12 (0.50) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL108245 0.74 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL4442972 0.70 CA12 (0.44) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL995945 0.69 CA12 (0.62) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL19413262 0.67 CA12 (0.52) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL19413263 0.67 CA12 (0.52) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL4724826 0.67 CA12 (1.00) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL19413304 0.67 CA12 (0.52) CA12CA7CA14SMN1; SMN2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 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-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CA12 4719/4885CA7 4487/4885CA14 4709/4885

“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.