SCHEMBL19796507

SCHEMBL19796507

C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2C)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.33
MMP3 P08254 6/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
TSHR P16473 2/20 0.33
RARB P10826 1/20 0.32
PPARD Q03181 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL19796543 0.94 MMP2 (0.34) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796584 0.94 MMP2 (0.34) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796509 0.93 TSHR (0.33) TSHRCA1CA2CYP2C9FFAR4
SCHEMBL19796491 0.92 MMP2 (0.33) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796980 0.91 TSHR (0.33) TSHRRARBPPARDCA1CA2
SCHEMBL19796976 0.90 FFAR4 (0.33) TSHRCYP2C9FFAR4ALDH1A1LMNA
SCHEMBL19796506 0.90 TSHR (0.36) TSHRCA1CA2CYP2C9FFAR4
SCHEMBL19796630 0.90 PPARD (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19796989 0.89 DGAT1 (0.33) TSHRRARBPPARDCA1CA2
SCHEMBL19797007 0.89 CA1 (0.32) MMP2MMP3MMP1MMP9MMP14

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.