SCHEMBL13526437

SCHEMBL13526437

COC(=O)CC1(F)CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.31
TP53 P04637 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
SCHEMBL13526458 0.80 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL4270319 0.79 CYP2D6 (0.36) CYP2D6CYP2C19TP53
SCHEMBL14590445 0.78 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL14531157 0.77 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5837137 0.77 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5836559 0.77 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL5836976 0.73 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL13525792 0.72 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL13525839 0.72 CYP2D6 (0.47) CYP2D6CYP2C19
SCHEMBL5838301 0.72 SMN1; SMN2 (0.32) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649118-B2 Process for preparing fluorine-containing norbornene derivative DAIKIN INDUSTRIES, LTD. (JP) 2010-01-19 US disclosed
US-20070129576-A1 Process for preparing fluorine-containing norbornene derivative DAIKIN INDUSTRIES, LTD. 2007-06-07 US disclosed
US-7186773-B2 Process for preparing fluorine-containing norbornene derivative DAIKIN INDUSTRIES, LTD. (JP) 2007-03-06 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-20070129576-A1 Process for preparing fluorine-containing norbornene derivative ADH1A, FLNA, FFAR2 CYP2D6 1459/4885CYP2C19 1106/4885NR1H2 1336/4885

“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.