SCHEMBL19804501

SCHEMBL19804501

C=C(C)C(=O)OCc1cc(C2CCC(C3CCCCC3)CC2)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PPARA Q07869 5/20 0.37
CSF1R P07333 2/20 0.36
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
BRD4 O60885 1/20 0.35
MCHR1 Q99705 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
PPARD Q03181 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A9 P48067 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
SCHEMBL19804491 0.91 PPARG (0.37) PPARGPPARACSF1RPDE4BPDE4A
SCHEMBL19804730 0.90 MMP2 (0.38) PPARGPPARACSF1RTSHRRAB9A
SCHEMBL19804400 0.89 PPARG (0.38) PPARGPPARACSF1RPDE4BPDE4A
SCHEMBL19804072 0.87 CSF1R (0.40) PPARGPPARACSF1RPDE4BPDE4A
SCHEMBL19804061 0.87 SLC6A9 (0.40) PPARGPPARACSF1RMCHR1TSHR
SCHEMBL19796620 0.86 PPARG (0.35) PPARGPPARACSF1RBRD4TSHR
SCHEMBL19804365 0.85 FFAR4 (0.33) PDE4BPDE4APDE4CPDE4D
SCHEMBL19804030 0.84 ACMSD (0.32) PPARGPPARAPDE4BPDE4APDE4C
SCHEMBL19804357 0.84 MMP2 (0.39) PPARGPPARATSHRRAB9APPARD
SCHEMBL19804064 0.83 CYP3A4 (0.43) PPARGPPARACSF1RPPARDPTGDR2

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 PPARG 3314/4885PPARA 3672/4885CSF1R 3027/4885

“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.