SCHEMBL19804396

SCHEMBL19804396

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2CC)ccc1OCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.35
PPARA Q07869 4/20 0.34
PPARD Q03181 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
CSF1R P07333 1/20 0.32
SLC6A9 P48067 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL19804070 0.95 PPARG (0.39) PPARGPPARAPPARDFFAR4RARA
SCHEMBL19804400 0.93 PPARG (0.38) PPARGPPARAPPARDCSF1RTSHR
SCHEMBL19797021 0.90 TSHR (0.32) PPARGPPARAPPARDTSHR
SCHEMBL19804351 0.90 PPARG (0.38) PPARGPPARAPPARDFFAR4RARA
SCHEMBL19804278 0.89 FFAR4 (0.34) FFAR4CA1CA2
SCHEMBL20171722 0.88 RARA (0.32) PPARGPPARAPPARDRARARARB
SCHEMBL19796640 0.87 TSHR (0.33) PPARGPPARAPPARDFFAR4RARA
SCHEMBL19804491 0.87 PPARG (0.37) PPARGPPARAPPARDCSF1RSLC6A9
SCHEMBL20171741 0.86 PPARG (0.32) PPARGPPARAPPARDFFAR4RARA
SCHEMBL19804368 0.86 CYP3A4 (0.41) PPARGPPARAPPARDFFAR4

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 3672/4885PPARD 3071/4885

“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.