SCHEMBL19804767

SCHEMBL19804767

C=CC(=O)OCCOc1cc(C2CCC(C3CCCCC3)CC2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
PPARG P37231 5/20 0.38
PPARA Q07869 4/20 0.38
FFAR4 Q5NUL3 3/20 0.38
CSF1R P07333 3/20 0.35
MCHR1 Q99705 1/20 0.35
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19804568 0.94 THRB (0.46) THRBPPARGPPARAFFAR4CSF1R
SCHEMBL19804802 0.89 FFAR4 (0.40) THRBPPARGPPARAFFAR4CSF1R
SCHEMBL19804158 0.88 THRB (0.43) THRBPPARGPPARAFFAR4CSF1R
SCHEMBL19797102 0.86 THRB (0.38) THRBPPARGPPARAFFAR4MCHR1
SCHEMBL19804596 0.84 FFAR4 (0.42) THRBPPARGPPARAFFAR4CSF1R
SCHEMBL19796899 0.83 THRB (0.39) THRBPPARGPPARAFFAR4MCHR1
SCHEMBL19804618 0.82 FFAR4 (0.44) THRBPPARGPPARAFFAR4CSF1R
SCHEMBL19804569 0.80 FFAR4 (0.42) THRBPPARGPPARAFFAR4TSHR
SCHEMBL19804474 0.79 CYP3A4 (0.37) FFAR4CSF1RKCNH2CYP3A4CYP2C9
SCHEMBL19804479 0.79 SLC6A9 (0.35) THRBPPARGPPARAFFAR4CSF1R

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 THRB 4323/4885PPARG 3314/4885PPARA 3672/4885

“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.