SCHEMBL2604647

SCHEMBL2604647

C=CC(=O)Oc1ccc(-c2cc(C)cc(-c3ccc(OC(=O)C=C)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.50
RXRA P19793 3/20 0.44
RXRB P28702 2/20 0.44
PDE6D O43924 1/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL15178016 0.87 THRB (0.54) THRBPDE6DLMNAHSD17B10GAA
SCHEMBL15695636 0.85 THRB (0.58) THRBPDE6DLMNAHSD17B10GAA
SCHEMBL802752 0.85 THRB (0.58) THRBPDE6DLMNAHSD17B10GAA
SCHEMBL22064860 0.84 THRB (0.47) THRBPDE6DLMNAGAANPC1
SCHEMBL378808 0.84 THRB (0.50) THRBRXRAPDE6DLMNAHSD17B10
SCHEMBL22173804 0.83 THRB (0.47) THRBRXRAPDE6DLMNAHSD17B10
SCHEMBL2604631 0.83 HSD17B1 (0.42) THRBRXRARXRBPDE6DLMNA
SCHEMBL2604642 0.83 THRB (0.46) THRBRXRARXRBPDE6DLMNA
SCHEMBL2604653 0.83 THRB (0.46) THRBRXRARXRBPDE6DLMNA
SCHEMBL2125460 0.82 LMNA (0.49) THRBPDE6DLMNAGAASMN1; SMN2

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 THRB 4883/4885RXRA 2823/4885RXRB 3512/4885

“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.