SCHEMBL19797012

SCHEMBL19797012

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2C)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.37
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
RARB P10826 4/20 0.32
RARA P10276 3/20 0.32
RARG P13631 3/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
TSHR P16473 3/20 0.32
PTPN11 Q06124 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2C9 P11712 1/20 0.30
CA1 P00915 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
SCHEMBL19007866 0.95 PPARD (0.37) PPARDPPARAPPARGMMP1MMP2
SCHEMBL19796638 0.94 TSHR (0.36) PPARDPPARAPPARGDGAT1SOAT1
SCHEMBL19796630 0.92 PPARD (0.38) PPARDPPARAPPARGMMP1MMP2
SCHEMBL19797018 0.90 CNR2 (0.35) PPARDRARBRARARARGTSHR
SCHEMBL19796640 0.90 TSHR (0.33) PPARDPPARAPPARGRARBRARA
SCHEMBL19796980 0.90 TSHR (0.33) PPARDRARBDGAT1SOAT1TSHR
SCHEMBL19007877 0.90 TSHR (0.34) PPARDPPARAPPARGDGAT1SOAT1
SCHEMBL19796639 0.89 PPARD (0.38) PPARDPPARAPPARGRARBTSHR
SCHEMBL22483434 0.88 TSHR (0.35) PPARDPPARAPPARGDGAT1TSHR
SCHEMBL19797021 0.88 TSHR (0.32) PPARDPPARAPPARGTSHRCNR1

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 3071/4885PPARA 3672/4885PPARG 3314/4885

“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.