SCHEMBL19796980

SCHEMBL19796980

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2C)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.32
RARB P10826 1/20 0.31
PPARD Q03181 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
DGAT1 O75907 2/20 0.30
P2RY14 Q15391 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SOAT1 P35610 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
SCHEMBL19796517 0.94 TSHR (0.38) TSHRCYP2C9FFAR4ALDH1A1LMNA
SCHEMBL19797007 0.92 CA1 (0.32) TSHRCYP2C9RARBPPARDFFAR4
SCHEMBL19796507 0.91 MMP2 (0.33) TSHRCYP2C9RARBPPARDFFAR4
SCHEMBL19797012 0.90 PPARD (0.37) TSHRCYP2C9RARBPPARDDGAT1
SCHEMBL19796976 0.90 FFAR4 (0.33) TSHRCYP2C9FFAR4ALDH1A1LMNA
SCHEMBL19796516 0.90 TSHR (0.35) TSHRCYP2C9FFAR4ALDH1A1LMNA
SCHEMBL19796506 0.89 TSHR (0.36) TSHRCYP2C9FFAR4ALDH1A1LMNA
SCHEMBL22926389 0.89 TSHR (0.33) TSHRCYP2C9RARBFFAR4P2RY14
SCHEMBL19796989 0.89 DGAT1 (0.33) TSHRCYP2C9RARBPPARDFFAR4
SCHEMBL19796515 0.88 TSHR (0.34) TSHRCYP2C9RARBPPARDFFAR4

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 TSHR 4195/4885CYP2C9 4202/4885RARB 3517/4885

“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.