SCHEMBL2604657

SCHEMBL2604657

C=C(C)C(=O)Oc1ccc(-c2cc(F)cc(-c3ccc(OC(=O)C(=C)C)c(F)c3)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
CFD P00746 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
MAPT P10636 1/20 0.36
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KIF11 P52732 1/20 0.34
FFAR1 O14842 1/20 0.34
FAAH O00519 1/20 0.33
AMY1A P0DUB6 1/20 0.33
AR P10275 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL9607788 0.92 CFD (0.42) ERN1CFDMAPTELANELMNA
SCHEMBL2604629 0.92 ELANE (0.38) ERN1CFDABCB1ABCC1MAPT
SCHEMBL17433322 0.91 CFD (0.41) ERN1CFDABCB1MAPTELANE
SCHEMBL2604650 0.89 ELANE (0.39) ERN1CFDABCB1ABCC1MAPT
SCHEMBL24113770 0.88 ERN1 (0.37) ERN1CFDMAPTELANELMNA
SCHEMBL18869498 0.88 ESR2 (0.42) MAPT
SCHEMBL3438599 0.88 ERN1 (0.39) ERN1CFDABCB1MAPTELANE
SCHEMBL17750821 0.88 KMO (0.40) ERN1CFDMAPTELANELMNA
SCHEMBL15385612 0.88 ERN1 (0.40) ERN1CFDMAPTELANELMNA
SCHEMBL18472702 0.88 CFD (0.50) ERN1CFDELANELMNAMAPK1

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 ERN1 2202/4885CFD 330/4885ABCB1 4164/4885

“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.