SCHEMBL19804357

SCHEMBL19804357

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCCCC3)cc2C)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.39
MMP3 P08254 4/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
S1PR1 P21453 5/20 0.35
S1PR5 Q9H228 4/20 0.35
S1PR3 Q99500 3/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
APP P05067 1/20 0.33
SLC6A9 P48067 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 2/20 0.33
ESR1 P03372 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
SCHEMBL19804730 0.95 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804513 0.92 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804064 0.90 CYP3A4 (0.43) PPARGPPARAFFAR4S1PR1S1PR5
SCHEMBL19804061 0.89 SLC6A9 (0.40) PPARGPPARAFFAR4CYP3A4CYP2C9
SCHEMBL19804435 0.87 S1PR1 (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804314 0.87 S1PR1 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796623 0.87 PPARD (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804742 0.86 S1PR1 (0.37) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19804458 0.85 S1PR1 (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19797010 0.85 PPARD (0.38) MMP2MMP3MMP1MMP9MMP14

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.