SCHEMBL2604629

SCHEMBL2604629

C=C(C)C(=O)Oc1cc(F)cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
ERN1 O75460 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CFD P00746 1/20 0.34
FAAH O00519 3/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 2/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
KIF11 P52732 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL24440861 0.93 ELANE (0.40) ELANEERN1KMT2AATMCFD
SCHEMBL2604657 0.92 ERN1 (0.39) ELANEERN1KMT2AATMCFD
SCHEMBL9607788 0.87 CFD (0.42) ELANEERN1CYP4F2CYP4A11KMT2A
SCHEMBL19824549 0.86 ELANE (0.48) ELANEERN1KMT2AATMCFD
SCHEMBL2604621 0.86 ELANE (0.48) ELANECYP4F2CYP4A11KMT2AATM
SCHEMBL9607907 0.86 ELANE (0.48) ELANEERN1KMT2AATMCFD
SCHEMBL17433322 0.85 CFD (0.41) ELANEERN1CYP4F2CYP4A11KMT2A
SCHEMBL2604619 0.85 MAPT (0.46) ELANEMAPTCYP1A2CYP2C19FFAR1
SCHEMBL16559831 0.84 POLB (0.39) ELANEERN1KMT2AATMFAAH
SCHEMBL19159050 0.84 NR4A2 (0.40) ELANEERN1FAAHFFAR4FFAR1

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 4 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-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
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 2411/4885ERN1 2202/4885CYP4F2 4532/4885

“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.