SCHEMBL16641122

SCHEMBL16641122

C=CC(=O)Oc1ccc(-c2ccc3c(ccc4cc(OC(=O)C=C)c(OC(=O)C=C)cc43)c2)cc1OC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.36
▸ GAPDH P04406 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ERN1 O75460 8/20 0.33
▸ LCK P06239 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ EGFR P00533 2/20 0.31
▸ NCEH1 Q6PIU2 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL16641068 0.88 GAPDH (0.38) TYMSGAPDHCYP1A2CYP3A4CYP2D6
SCHEMBL16641110 0.86 GAPDH (0.38) TYMSGAPDHCYP1A2CYP3A4CYP2D6
SCHEMBL15338822 0.86 TYMS (0.41) TYMSGAPDHCYP3A4ERN1THRB
SCHEMBL16641128 0.86 TYMS (0.41) TYMSCYP3A4THRBTHRAEGFR
SCHEMBL15338862 0.84 TYMS (0.40) TYMSGAPDHCYP3A4ERN1THRB
SCHEMBL16641132 0.81 GAPDH (0.40) GAPDHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16641174 0.80 GAPDH (0.39) GAPDHHSD17B1HSD17B2ERN1LCK
SCHEMBL16641256 0.80 GAPDH (0.39) GAPDHHSD17B1HSD17B2ERN1LCK
SCHEMBL21101842 0.80 THRB (0.46) TYMSGAPDHCYP3A4HSD17B1HSD17B2
SCHEMBL16803380 0.80 THRB (0.46) TYMSGAPDHCYP3A4HSD17B1HSD17B2

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-9394482-B2 Polymerizable compound, polymerizable composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-19 — — US disclosed
US-9394482-B2 Polymerizable compound, polymerizable composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-19 — — US disclosed
US-20150102259-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-04-16 — — US disclosed
US-20150102259-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-04-16 — — 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-20150102259-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, LEO1, PYM1 TYMS 4831/4885GAPDH 4834/4885CYP1A2 175/4885

“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.

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