SCHEMBL13849600

SCHEMBL13849600

COC(=O)C1CCCCC1C(=O)OC(CF)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL13849578 0.86 PEPD (0.35) CYP3A4TP53ALDH1A1SMN1; SMN2
SCHEMBL13849601 0.82 EPHX1 (0.34) CHRM2CHRM4CHRM3CYP3A4TP53
SCHEMBL13849602 0.77 ALDH1A1 (0.42) SLC6A4CYP3A4ALDH1A1
SCHEMBL13833054 0.76 SLC6A2 (0.38) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL11514730 0.75 CHRM2 (0.48) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL8058857 0.75 CHRM2 (0.48) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL272354 0.75 CHRM2 (0.48) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL13595131 0.75 CHRM2 (0.48) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL13849562 0.75 PPM1B (0.54) SLC6A4
SCHEMBL13849598 0.74 ALDH1A1 (0.37) CYP3A4TP53ALDH1A1

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-7527912-B2 Photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-05 US disclosed
US-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-04-10 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-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process RER1, SCO2, ASIC3 SLC6A2 2586/4885SLC6A4 2541/4885CHRM2 2810/4885

“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.