SCHEMBL19804777

SCHEMBL19804777

C=C(C)C(=O)OCCc1cc(-c2ccc(OCCO)cc2)ccc1-c1ccc(C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.45
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
APP P05067 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL19804822 0.95 FFAR4 (0.43) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804148 0.94 FFAR4 (0.44) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804634 0.94 FFAR4 (0.44) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804766 0.91 FFAR4 (0.49) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804661 0.91 FFAR4 (0.43) FFAR4POLBESR1HRH3KCNH2
SCHEMBL19804791 0.90 FFAR4 (0.41) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804483 0.89 FFAR4 (0.40) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804615 0.88 FFAR4 (0.39) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804784 0.88 FFAR4 (0.39) FFAR4POLBAPEX1HTTTDP1
SCHEMBL19804673 0.88 FFAR4 (0.46) FFAR4CYP3A4CYP2C9APP

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 1715/4885POLB 3105/4885APEX1 1385/4885

“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.