SCHEMBL19797138

SCHEMBL19797138

C=C(C)C(=O)OCCc1cc(C2CCC(c3ccc(-c4ccc(OCCO)cc4)c(C)c3)CC2)ccc1CCCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 11/20 0.36
CNR1 P21554 6/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
RARB P10826 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
SCHEMBL19624586 0.89 MMP2 (0.41) RAB9AMMP1MMP2MMP3MMP9
SCHEMBL19796584 0.85 MMP2 (0.34) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19796879 0.85 RAB9A (0.39) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19796543 0.85 MMP2 (0.34) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19797121 0.84 RAB9A (0.38) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19797082 0.83 RAB9A (0.37) RAB9AMMP1MMP2MMP3MMP9
SCHEMBL19804812 0.82 MMP2 (0.43) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19804317 0.82 S1PR1 (0.38) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19796507 0.82 MMP2 (0.33) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19796630 0.82 PPARD (0.38) RAB9AMMP1MMP2MMP3MMP9

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 RAB9A 4200/4885MMP1 2797/4885MMP2 3416/4885

“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.