SCHEMBL19804374

SCHEMBL19804374

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCCCC3)cc2CC)ccc1OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.36
PPARA Q07869 4/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CSF1R P07333 3/20 0.34
PPARD Q03181 2/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
APP P05067 1/20 0.33
MCHR1 Q99705 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL19804656 0.95 RARA (0.37) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804293 0.92 FFAR4 (0.38) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804351 0.92 PPARG (0.38) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804425 0.92 CYP3A4 (0.37) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804417 0.91 FFAR4 (0.38) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804070 0.90 PPARG (0.39) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804496 0.90 FFAR4 (0.38) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804551 0.89 CYP3A4 (0.46) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804498 0.88 SLC6A9 (0.40) PPARGPPARACYP3A4CYP2C9TSHR
SCHEMBL19796648 0.87 FPR2 (0.34) PPARGPPARAFFAR4TSHRRAB9A

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 3672/4885FFAR4 1715/4885

“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.