SCHEMBL2604688

SCHEMBL2604688

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDK2 Q15119 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
SCHEMBL2606426 0.95 LMNA (0.36) ELANELMNAGAAOPRM1PDK2
SCHEMBL2125191 0.89 ELANE (0.46) ELANEKMT2AATMLMNAOPRM1
SCHEMBL2604681 0.89 ELANE (0.38) ELANEKMT2AATMLMNAGAA
SCHEMBL2606301 0.81 LMNA (0.34) LMNAGAA
SCHEMBL2604683 0.81 KMT2A (0.40) ELANEKMT2AATMPDK2
SCHEMBL2604674 0.80 PDK2 (0.39) ELANEKMT2AATMPDK2
SCHEMBL2604686 0.79 HTR7 (0.33) ELANEKMT2AATMLMNAGAA
SCHEMBL15339126 0.79 ELANE (0.36) ELANEKMT2AATMPOLBHTT
SCHEMBL21266419 0.78 ELANE (0.46) ELANEKMT2AATMGAAPOLB
SCHEMBL2604689 0.78 PDK2 (0.38) ELANEKMT2AATMPDK2

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 ELANE 2411/4885KMT2A 3313/4885ATM 737/4885

“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.