SCHEMBL19797010

SCHEMBL19797010

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2C)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.38
MMP2 P08253 7/20 0.37
MMP3 P08254 7/20 0.37
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
PPARG P37231 4/20 0.33
PPARA Q07869 3/20 0.33
RARB P10826 1/20 0.32
PTPN11 Q06124 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL19796623 0.98 PPARD (0.39) PPARDMMP2MMP3MMP1MMP9
SCHEMBL19796620 0.91 PPARG (0.35) PPARDPPARGPPARADGAT1SOAT1
SCHEMBL19796630 0.91 PPARD (0.38) PPARDMMP2MMP3MMP1MMP9
SCHEMBL19796628 0.89 PPARD (0.38) PPARDPPARGPPARAGABRA1GABRB2
SCHEMBL19804730 0.88 MMP2 (0.38) PPARDMMP2MMP3MMP1MMP9
SCHEMBL19796618 0.88 CYP2C9 (0.35) PPARGPPARARARBPTPN11DGAT1
SCHEMBL19796538 0.87 FFAR4 (0.33) PPARDMMP2MMP3MMP1MMP9
SCHEMBL19796491 0.86 MMP2 (0.33) PPARDMMP2MMP3MMP1MMP9
SCHEMBL20171741 0.86 PPARG (0.32) PPARDPPARGPPARARARBTSHR
SCHEMBL19007866 0.86 PPARD (0.37) PPARDMMP2MMP3MMP1MMP9

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 PPARD 3071/4885MMP2 3416/4885MMP3 3273/4885

“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.