SCHEMBL2604650

SCHEMBL2604650

C=C(C)C(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)C(=C)C)c(F)c3)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
CFD P00746 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
FFAR1 O14842 5/20 0.37
PPARD Q03181 4/20 0.37
ERN1 O75460 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ABCB1 P08183 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KIF11 P52732 1/20 0.35

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 0.94 CFD (0.42) ELANECFDMAPTLMNAFFAR1
SCHEMBL18869498 0.93 ESR2 (0.42) MAPT
SCHEMBL14699670 0.92 ELANE (0.44) ELANECFDMAPTCYP1A2CYP2C19
SCHEMBL17433322 0.92 CFD (0.41) ELANECFDMAPTCYP1A2CYP2C19
SCHEMBL2604619 0.91 MAPT (0.46) ELANEMAPTCYP1A2CYP2C19LMNA
SCHEMBL2604657 0.89 ERN1 (0.39) ELANECFDMAPTLMNAFFAR1
SCHEMBL15385612 0.89 ERN1 (0.40) ELANECFDMAPTALDH1A1LMNA
SCHEMBL18472702 0.89 CFD (0.50) ELANECFDALDH1A1LMNAGAA
SCHEMBL21183111 0.88 CFD (0.38) ELANECFDMAPTLMNAFFAR1
SCHEMBL18869421 0.88 ERN1 (0.49) ALDH1A1LMNAFFAR1ERN1MAPK1

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 2411/4885CFD 330/4885MAPT 39/4885

“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.