SCHEMBL2604616

SCHEMBL2604616

C=CC(=O)Oc1cccc(-c2ccc(OC(=O)C=C)c(F)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.40
PTGS2 P35354 4/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
FAAH O00519 4/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL18472808 0.89 PTGER2 (0.41) TYMSTHRATHRB
SCHEMBL21663328 0.86 TYMS (0.40) TYMSPTGS2AKR1C3AKR1C2CYP1A2
SCHEMBL9607893 0.83 TYMS (0.36) TYMSPTGS2THRATHRB
SCHEMBL9607786 0.83 THRB (0.42) TYMSCYP2C19THRATHRB
SCHEMBL9607890 0.82 TYMS (0.42) TYMSMAPTTHRATHRB
SCHEMBL2604628 0.82 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2FAAH
SCHEMBL15338864 0.81 TYMS (0.38) TYMSMAPTTHRATHRB
SCHEMBL20664389 0.81 PTGS2 (0.35) TYMSPTGS2AKR1C3AKR1C2THRA
SCHEMBL2604627 0.81 CYP1A2 (0.44) TYMSCYP1A2MAPTCYP2C19
SCHEMBL9607781 0.81 THRB (0.37) TYMSAKR1C3AKR1C2MAPTTHRA

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 TYMS 1755/4885PTGS2 2451/4885AKR1C3 3550/4885

“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.