SCHEMBL19796775

SCHEMBL19796775

C/C=C/C(=O)OCCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
CYP2C9 P11712 1/20 0.34
SOAT1 P35610 1/20 0.34
PTPN11 Q06124 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
APP P05067 4/20 0.32
MCHR1 Q99705 1/20 0.32
SLC6A9 P48067 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL19796746 0.91 PTPN11 (0.36) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19797045 0.88 PTPN11 (0.34) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19801619 0.87 SLC6A9 (0.38) CYP2C9ALDH1A1APPMCHR1SLC6A9
SCHEMBL19796638 0.86 TSHR (0.36) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19796745 0.86 PTPN11 (0.36) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19797044 0.84 PPARD (0.37) CYP2C9PTPN11CNR1CNR2APP
SCHEMBL19796743 0.83 PTPN11 (0.36) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19007877 0.82 TSHR (0.34) DGAT1CYP2C9SOAT1PTPN11ALDH1A1
SCHEMBL19797012 0.81 PPARD (0.37) DGAT1CYP2C9SOAT1PTPN11CNR1
SCHEMBL22483434 0.81 TSHR (0.35) DGAT1CYP2C9PTPN11ALDH1A1LMNA

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 2685/4885CYP2C9 4202/4885SOAT1 1216/4885

“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.