SCHEMBL19854411

SCHEMBL19854411

C=C(CO)C(=O)OCCc1cc(CCOC(=O)C(=C)CO)cc(-c2ccc(C3CCC(CCCCC(F)(F)F)CC3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.33
▸ DGAT1 O75907 3/20 0.33
▸ SOAT1 P35610 2/20 0.33
▸ P2RY14 Q15391 2/20 0.32
▸ MGAT2 Q10469 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ DRD5 P21918 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ NTSR1 P30989 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
SCHEMBL19856159 0.95 ESR2 (0.32) ESR2DGAT1SOAT1P2RY14MGAT2
SCHEMBL19855961 0.94 DGAT1 (0.34) ESR2DGAT1SOAT1P2RY14FFAR4
SCHEMBL19856151 0.93 FFAR4 (0.31) ESR2DGAT1SOAT1P2RY14FFAR4
SCHEMBL20313516 0.89 CYP2C9 (0.37) ESR2DGAT1SOAT1P2RY14
SCHEMBL19855538 0.89 CYP2C9 (0.37) ESR2DGAT1SOAT1P2RY14
SCHEMBL19854426 0.89 CYP2C9 (0.32) MGAT2FFAR4
SCHEMBL19855363 0.88 MGAT2 (0.34) ESR2DGAT1SOAT1P2RY14MGAT2
SCHEMBL20313558 0.86 CYP2C9 (0.44) ESR2DGAT1SOAT1P2RY14FFAR4
SCHEMBL19855089 0.86 ESR2 (0.32) ESR2DGAT1SOAT1MGAT2FFAR4
SCHEMBL20322671 0.86 ESR2 (0.32) ESR2DGAT1SOAT1MGAT2FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 ESR2 1953/4885DGAT1 2150/4885SOAT1 1732/4885

“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.

Send feedback