SCHEMBL17754262

SCHEMBL17754262

C=CC(=O)OCOc1ccc2cc(-c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)c(OCOC(=O)C=C)c4)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C3 P42330 6/20 0.33
AKR1C2 P52895 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PDE6D O43924 1/20 0.32

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
SCHEMBL17754249 0.94 THRB (0.43) THRBKMT2AMAPTLMNASMN1; SMN2
SCHEMBL17754252 0.90 FFAR4 (0.35) THRBKMT2AMAPTAKR1C3FFAR4
SCHEMBL17754264 0.86 FFAR1 (0.34) THRBKMT2AMAPTAKR1C3FFAR4
SCHEMBL17754254 0.85 AKR1C3 (0.35) THRBAKR1C3
SCHEMBL12375052 0.85 THRB (0.40) THRBKMT2AMAPTAKR1C3AKR1C2
SCHEMBL17461507 0.84 THRB (0.44) THRBKMT2AMAPTKDM4ENPC1
SCHEMBL15582416 0.84 THRB (0.38) THRBKMT2AMAPTAKR1C3
SCHEMBL15582417 0.83 THRB (0.49) THRBKMT2AMAPTLMNAFFAR4
SCHEMBL12154247 0.82 THRB (0.48) THRBKMT2AMAPTKDM4ENPC1
SCHEMBL17461504 0.81 THRB (0.49) THRBKMT2AMAPTKDM4ENPC1

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 1 patent. 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

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.