SCHEMBL19796543

SCHEMBL19796543

C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2C)ccc1CCO

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.34
MMP3 P08254 6/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
TSHR P16473 2/20 0.32
RARB P10826 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
PPARD Q03181 2/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL19796584 0.96 MMP2 (0.34) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796989 0.95 DGAT1 (0.33) TSHRRARBCA1CA2PPARD
SCHEMBL19796507 0.94 MMP2 (0.33) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796549 0.93 TSHR (0.33) TSHRCA1CA2CNR1CNR2
SCHEMBL19796538 0.93 FFAR4 (0.33) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19797007 0.91 CA1 (0.32) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19797000 0.91 MMP2 (0.33) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796630 0.91 PPARD (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796542 0.90 TSHR (0.36) TSHRCA1CA2DGAT1SOAT1
SCHEMBL19797022 0.89 CA1 (0.30) CA1CA2

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 MMP2 3416/4885MMP3 3273/4885MMP1 2797/4885

“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.