SCHEMBL17754247

SCHEMBL17754247

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)CCc3ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c3)cc2F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
KMT2A Q03164 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
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
CCR5 P51681 1/20 0.32
MAPT P10636 1/20 0.32
ALOX5 P09917 1/20 0.32
AKR1C3 P42330 3/20 0.31
ALOX15 P16050 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
SCHEMBL17719445 0.97 S1PR1 (0.36) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL18541173 0.96 THRB (0.36) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL17754283 0.94 THRB (0.38) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL17754246 0.91 THRB (0.37) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL18541172 0.91 THRB (0.37) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL16803383 0.88 THRB (0.39) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL17719436 0.88 THRB (0.39) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL16803384 0.88 THRB (0.39) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL17461514 0.88 THRB (0.40) THRBS1PR1S1PR3S1PR5KMT2A
SCHEMBL18541175 0.88 ALOX15 (0.37) THRBS1PR1S1PR3S1PR5NPC1

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 4879/4885S1PR1 3005/4885S1PR3 2931/4885

“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.