SCHEMBL19804730

SCHEMBL19804730

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2C)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.38
MMP3 P08254 7/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 2/20 0.38
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CSF1R P07333 1/20 0.33
SLC6A9 P48067 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 3/20 0.31
S1PR5 Q9H228 2/20 0.31
PPARD Q03181 2/20 0.31
ESR1 P03372 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL19804357 0.95 MMP2 (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804501 0.90 PPARG (0.37) PPARGPPARACSF1RSLC6A9TSHR
SCHEMBL19797010 0.88 PPARD (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804513 0.87 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796623 0.85 PPARD (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804064 0.85 CYP3A4 (0.43) PPARGPPARAFFAR4CSF1RSLC6A9
SCHEMBL19804061 0.84 SLC6A9 (0.40) PPARGPPARAFFAR4CSF1RSLC6A9
SCHEMBL19804396 0.83 PPARG (0.35) PPARGPPARAFFAR4CSF1RSLC6A9
SCHEMBL19804435 0.82 S1PR1 (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804491 0.82 PPARG (0.37) PPARGPPARACSF1RSLC6A9TSHR

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 MMP2 3416/4885MMP3 3273/4885MMP1 2797/4885

“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.