SCHEMBL19804791

SCHEMBL19804791

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCCCC3)cc2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
APP P05067 1/20 0.37
MCHR1 Q99705 1/20 0.36
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SLC6A9 P48067 1/20 0.36
CSF1R P07333 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL19804564 0.94 FFAR4 (0.41) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804751 0.91 FFAR4 (0.37) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804498 0.90 SLC6A9 (0.40) PPARGPPARACYP3A4CYP2C9APP
SCHEMBL19804777 0.90 FFAR4 (0.45) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804781 0.89 FFAR4 (0.40) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804809 0.89 FFAR4 (0.44) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804523 0.89 FFAR4 (0.44) FFAR4PPARGPPARACYP3A4CYP2C9
SCHEMBL19804670 0.88 SLC6A9 (0.41) PPARGPPARAPOLBAPEX1HTT
SCHEMBL19804770 0.86 SLC6A9 (0.39) FFAR4PPARGPPARAPOLBAPEX1
SCHEMBL19804822 0.86 FFAR4 (0.43) FFAR4PPARGPPARACYP3A4CYP2C9

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 FFAR4 1715/4885PPARG 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.