SCHEMBL2604649

SCHEMBL2604649

C=CC(=O)Oc1ccc(-c2cc(F)cc(-c3ccc(OC(=O)C=C)cc3F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
ERN1 O75460 1/20 0.39
THRB P10828 3/20 0.39
CTSA P10619 1/20 0.37
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
PTGS2 P35354 3/20 0.35
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TTR P02766 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2604644 0.88 AKR1C3 (0.41) THRBCTSAAKR1C3AKR1C2PTGS2
SCHEMBL9607903 0.88 THRB (0.44) ERN1THRBAKR1C3AKR1C2PTGS2
SCHEMBL9607789 0.87 THRB (0.45) FFAR4ERN1THRBAPPCYP2C19
SCHEMBL3438597 0.87 ERN1 (0.39) FFAR4ERN1THRBCTSAAKR1C3
SCHEMBL9607850 0.86 THRB (0.43) ERN1THRBAKR1C3AKR1C2PTGS2
SCHEMBL18472419 0.85 PTGS1 (0.46) THRBAKR1C3AKR1C2PTGS2APP
SCHEMBL2604628 0.84 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2
SCHEMBL17754285 0.83 PRKAB2 (0.42) FFAR4THRBAPPCYP2C19ALDH1A1
SCHEMBL20344357 0.81 APP (0.41) ERN1THRBAKR1C3AKR1C2APP
SCHEMBL18773562 0.81 CYP2C19 (0.53) ERN1THRBCTSAAKR1C3AKR1C2

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 FFAR4 1697/4885ERN1 2202/4885THRB 4883/4885

“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.