SCHEMBL124963

SCHEMBL124963

CC(=O)OCCOCCOC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 3/20 0.54
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
GALR3 O60755 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8862742 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL853024 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4394240 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL1121858 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8862661 0.82 ALDH1A1 (0.75) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL19578508 0.81 THRB (0.59) ALDH1A1TSHRHSD17B10TP53HIF1A
SCHEMBL597359 0.81 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL595512 0.81 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL20798539 0.79 ALDH1A1 (0.48) ALDH1A1TSHRGAAHSD17B10LMNA
SCHEMBL15449195 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCHRM5CHRM1CHRM3

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 ALDH1A1 371/4885TSHR 4806/4885CHRM5 1902/4885

“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.