SCHEMBL19796989

SCHEMBL19796989

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(C)c2)ccc1CCO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 2/20 0.32
RARB P10826 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
PPARD Q03181 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 0.95 MMP2 (0.34) DGAT1SOAT1CYP2C9TSHRRARB
SCHEMBL19797007 0.94 CA1 (0.32) DGAT1SOAT1CYP2C9TSHRRARB
SCHEMBL19796542 0.93 TSHR (0.36) DGAT1SOAT1CYP2C9TSHRCA1
SCHEMBL19796584 0.91 MMP2 (0.34) DGAT1SOAT1CYP2C9TSHRRARB
SCHEMBL19007866 0.91 PPARD (0.37) DGAT1SOAT1CYP2C9TSHRRARB
SCHEMBL19796986 0.90 CYP2C9 (0.34) DGAT1CYP2C9TSHRRARBALDH1A1
SCHEMBL19796507 0.89 MMP2 (0.33) CYP2C9TSHRRARBCA1CA2
SCHEMBL19796549 0.89 TSHR (0.33) CYP2C9TSHRCA1CA2ALDH1A1
SCHEMBL19796583 0.89 TSHR (0.37) DGAT1SOAT1CYP2C9TSHRCA1
SCHEMBL19796586 0.89 TSHR (0.35) DGAT1SOAT1CYP2C9TSHRCA1

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 DGAT1 2685/4885SOAT1 1216/4885CYP2C9 4202/4885

“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.