SCHEMBL31756582

SCHEMBL31756582

CCOC(=O)C1CC(C(F)(F)F)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HIF1A Q16665 1/20 0.40
TLR4 O00206 1/20 0.38
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL30032752 0.85 MAPT (0.40) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL30033403 0.79 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL3196831 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL23857484 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL11676672 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL30034563 0.76 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL15416046 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6901730 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL5896904 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6225021 0.74 MAPT (0.44) ALDH1A1MAPTKMT2AKDM4EMEN1

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-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 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-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN CNR1, SCN1B, OPRL1 ALDH1A1 1503/4885MAPT 4460/4885KMT2A 3937/4885

“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.