SCHEMBL17754283

SCHEMBL17754283

C=CC(=O)Oc1ccc(CCC(=O)Oc2ccc(-c3ccc(OC(=O)C(=C)C)cc3F)cc2)cc1OC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CCR5 P51681 1/20 0.32
FFAR1 O14842 3/20 0.32
FFAR4 Q5NUL3 2/20 0.32
AKR1C3 P42330 1/20 0.32
NFKB1 P19838 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
SCHEMBL18541172 0.96 THRB (0.37) THRBKMT2AMAPTF2PRSS1
SCHEMBL17754246 0.96 THRB (0.37) THRBKMT2AMAPTF2PRSS1
SCHEMBL17754247 0.94 THRB (0.35) THRBKMT2AMAPTF2PRSS1
SCHEMBL17719445 0.93 S1PR1 (0.36) THRBKMT2ANPC1RAB9AS1PR1
SCHEMBL18541174 0.93 THRB (0.39) THRBKMT2AMAPTF2PRSS1
SCHEMBL18541173 0.91 THRB (0.36) THRBKMT2AMAPTF2PRSS1
SCHEMBL20414524 0.90 THRB (0.44) THRBKMT2AMAPTNPC1RAB9A
SCHEMBL17754307 0.90 THRB (0.44) THRBKMT2AMAPTNPC1RAB9A
SCHEMBL17719440 0.88 THRB (0.40) THRBKMT2AMAPTF2PRSS1
SCHEMBL16803383 0.87 THRB (0.39) THRBKMT2AMAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 THRB 4879/4885KMT2A 2308/4885MAPT 66/4885

“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.