SCHEMBL19804725

SCHEMBL19804725

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(C)c2)ccc1OCCO

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MCHR1 Q99705 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
CSF1R P07333 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARD Q03181 3/20 0.31
RARA P10276 2/20 0.30
RARB P10826 2/20 0.30
RARG P13631 2/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL19804742 0.92 S1PR1 (0.37) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19804075 0.88 CSF1R (0.35) CA1CA2MCHR1TSHRRAB9A
SCHEMBL19007866 0.88 PPARD (0.37) MMP1MMP2MMP3MMP9MMP14
SCHEMBL22030366 0.88 CSF1R (0.34) CA1CA2MCHR1TSHRRAB9A
SCHEMBL19804513 0.87 MMP2 (0.38) MMP1MMP2MMP3MMP9MMP14
SCHEMBL19624690 0.84 MCHR1 (0.35) CA1CA2MCHR1TSHRRAB9A
SCHEMBL19804069 0.84 SLC6A9 (0.39) CA1CA2MCHR1TSHRRAB9A
SCHEMBL19804487 0.84 SLC6A9 (0.39) MCHR1PPARDRARARARBRARG
SCHEMBL21115767 0.83 RARA (0.38) CA1CA2PPARDRARARARB
SCHEMBL19796666 0.83 CA1 (0.34) CA1CA2MCHR1TSHRRAB9A

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

“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.