SCHEMBL19796899

SCHEMBL19796899

C=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PTPN11 Q06124 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
P2RY14 Q15391 1/20 0.35
RARB P10826 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 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
SCHEMBL19797102 0.97 THRB (0.38) THRBPPARGPPARARAB9AHPGD
SCHEMBL19796842 0.95 RAB9A (0.38) THRBPPARGPPARARAB9AHPGD
SCHEMBL19796897 0.91 THRB (0.38) THRBPPARGPPARAHPGDTSHR
SCHEMBL19797126 0.90 THRB (0.39) THRBPPARGPPARAPTPN11FFAR4
SCHEMBL19797101 0.88 THRB (0.37) THRBPPARGPPARAFFAR4RARB
SCHEMBL19796835 0.88 SPHK1 (0.36) THRBPPARGPPARAHPGDTSHR
SCHEMBL19797104 0.88 FFAR4 (0.36) THRBPPARGPPARARAB9AHPGD
SCHEMBL19796839 0.87 SPHK1 (0.37) THRBPPARGPPARAHPGDTSHR
SCHEMBL19722504 0.87 THRB (0.49) THRBRAB9AHPGDTSHRITGB3
SCHEMBL19796834 0.87 THRB (0.36) THRBPPARGPPARAHPGDTSHR

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 THRB 4323/4885PPARG 3314/4885PPARA 3672/4885

“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.