SCHEMBL20313628

SCHEMBL20313628

C=C(CO)C(=O)OCCCc1cc(CCCOC(=O)C(=C)CO)cc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.35
▸ SPHK1 Q9NYA1 11/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ SOAT1 P35610 1/20 0.31
▸ SPHK2 Q9NRA0 5/20 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
SCHEMBL20313627 0.97 CYP2C9 (0.36) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL20313516 0.93 CYP2C9 (0.37) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19855538 0.93 CYP2C9 (0.37) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19722414 0.91 SPHK1 (0.42) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19722155 0.91 SPHK1 (0.42) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19755066 0.91 SPHK1 (0.42) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19854205 0.90 FFAR4 (0.32) DGAT1SOAT1
SCHEMBL19722420 0.90 SPHK1 (0.41) CYP2C9SPHK1ALDH1A1LMNAMAPT
SCHEMBL19856151 0.90 FFAR4 (0.31) DGAT1P2RY14SOAT1
SCHEMBL19722404 0.88 FFAR4 (0.37) CYP2C9SPHK1ALDH1A1LMNAMAPT

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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 CYP2C9 3375/4885SPHK1 212/4885ALDH1A1 2615/4885

“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.

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