SCHEMBL2604656

SCHEMBL2604656

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TYMS P04818 1/20 0.35
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PGR P06401 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
PTGER2 P43116 1/20 0.31
CFD P00746 1/20 0.31
HTT P42858 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
SCHEMBL2604623 0.93 ERN1 (0.36) ERN1MAPK1POLBTSHRTYMS
SCHEMBL9607776 0.92 ERN1 (0.40) ERN1MAPK1POLBTSHRTYMS
SCHEMBL2604655 0.89 TYMS (0.41) ERN1MAPK1POLBTSHRTYMS
SCHEMBL20342995 0.88 ESR2 (0.42) MAPK1POLBTSHRTYMSESR2
SCHEMBL3438601 0.88 ERN1 (0.39) ERN1MAPK1POLBTSHRTYMS
SCHEMBL9613625 0.86 THRB (0.43) ERN1MAPK1POLBTSHRTYMS
SCHEMBL18808272 0.85 ERN1 (0.51) ERN1MAPK1FFAR1ALDH1A1LMNA
SCHEMBL15906275 0.85 ERN1 (0.36) ERN1MAPK1POLBTSHRTYMS
SCHEMBL16488179 0.85 KDM4E (0.47) ERN1ESR1ESR2LMNAKDM4E
SCHEMBL18468416 0.84 ERN1 (0.38) ERN1MAPK1POLBTSHRTYMS

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 2202/4885MAPK1 1163/4885POLB 772/4885

“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.