SCHEMBL2604674

SCHEMBL2604674

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2606427 0.95 PDK2 (0.42) PDK2
SCHEMBL2121901 0.89 ELANE (0.46) PDK2ELANEKMT2AATM
SCHEMBL2604689 0.88 PDK2 (0.38) PDK2ELANEKMT2AATM
SCHEMBL2604683 0.83 KMT2A (0.40) PDK2ELANEKMT2AATM
SCHEMBL2606431 0.82 PDK2 (0.41) PDK2
SCHEMBL2604688 0.80 ELANE (0.39) PDK2ELANEKMT2AATM
SCHEMBL2604682 0.79 PDK2 (0.39) PDK2ELANEKMT2AATM
SCHEMBL2604681 0.79 ELANE (0.38) ELANEKMT2AATM
SCHEMBL27937222 0.79 ELANE (0.38) PDK2ELANEKMT2AATM
SCHEMBL2604671 0.77 ELANE (0.43) PDK2ELANEKMT2AATM

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 PDK2 553/4885ELANE 2411/4885KMT2A 3313/4885

“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.