SCHEMBL19796852

SCHEMBL19796852

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc(CCOC(=O)C(=C)C)c1OCCO

nearest known ligand 0.37

Predicted protein targets (top 14)

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
SPHK1 Q9NYA1 3/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
P2RY14 Q15391 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
SCHEMBL19007877 0.90 TSHR (0.34) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL19796651 0.88 FPR2 (0.36) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL21115550 0.88 TSHR (0.36) DGAT1SOAT1CYP2C9TSHRSPHK1
SCHEMBL19007871 0.87 CA1 (0.35) DGAT1SOAT1CYP2C9TSHRSPHK1
SCHEMBL19796585 0.87 CNR2 (0.36) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL19804646 0.86 FFAR4 (0.35) CYP2C9ALDH1A1MAPTCA1CA2
SCHEMBL19796638 0.86 TSHR (0.36) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL19796609 0.86 CNR2 (0.38) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL19007881 0.86 CNR2 (0.35) DGAT1SOAT1CYP2C9TSHRRAB9A
SCHEMBL19797014 0.86 RARA (0.34) DGAT1SOAT1CYP2C9TSHRRAB9A

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.