SCHEMBL2606426

SCHEMBL2606426

C=C(C(=O)Oc1ccc2c(c1)C(C)c1cc(OC(=O)C(=C)C(F)(F)F)ccc1-2)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PDK2 Q15119 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
OPRM1 P35372 1/20 0.31
ELANE P08246 1/20 0.31
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL2604688 0.95 ELANE (0.39) LMNAGAAPDK2OPRM1ELANE
SCHEMBL2606301 0.86 LMNA (0.34) LMNAGAA
SCHEMBL2604686 0.84 HTR7 (0.33) LMNAGAAHTR7HTR2BOPRM1
SCHEMBL2604681 0.83 ELANE (0.38) LMNAGAAELANE
SCHEMBL2125191 0.82 ELANE (0.46) LMNAHTR7HTR2BOPRM1ELANE
SCHEMBL11986096 0.79 MAPT (0.34) ELANE
SCHEMBL14088599 0.79 HTT (0.45) LMNAGAA
SCHEMBL21101844 0.78 BACE1 (0.38) PDK2ELANE
SCHEMBL2606427 0.77 PDK2 (0.42) PDK2
SCHEMBL2606430 0.77 MAPT (0.37) PDK2HSD17B1

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-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 LMNA 301/4885GAA 4278/4885PDK2 553/4885

“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.