SCHEMBL22943013

SCHEMBL22943013

CCn1ccc(OCC(C)(C)C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NUDT1 P36639 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL21468591 0.84
SCHEMBL19122030 0.83 NUDT1 (0.45) ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9
SCHEMBL20260744 0.81 CFTR (0.37) JMJD6KMT2ACFTR
SCHEMBL22943261 0.77 HDAC1 (0.36) CFTR
SCHEMBL16823798 0.76 HTT (0.43) ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9
SCHEMBL23364840 0.75 CFTR (0.35) JMJD6CFTR
SCHEMBL20239860 0.75 L3MBTL1 (0.35) JMJD6CFTR
SCHEMBL22943262 0.72 ALDH1A1 (0.32) ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9
SCHEMBL23742023 0.72 CFTR (0.34) KMT2ACFTR
SCHEMBL21288456 0.72 CFTR (0.36) CFTR

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-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-04 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-20210032272-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SCNN1G, CLCN2 ALDH1A1 4004/4885JMJD6 4334/4885CYP1A2 4175/4885

“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.