SCHEMBL21398554

SCHEMBL21398554

C=C(C)C(=O)OCC(CO)CC1CCC2CC(CCc3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)cc3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.34
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SPHK2 Q9NRA0 7/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL19854832 0.93 SPHK1 (0.33) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL20882244 0.90 CYP2C9 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19856254 0.89 SPHK1 (0.40) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL21400867 0.88 SPHK1 (0.37) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19856272 0.87 SPHK1 (0.40) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19854011 0.86 THRB (0.35) SPHK1ALDH1A1MAPTITGB3ITGA2B
SCHEMBL19856357 0.86 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL19854746 0.86 SPHK1 (0.40) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19854231 0.85 SPHK1 (0.39) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19856362 0.85 SPHK1 (0.44) SPHK1SPHK2

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 2 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-09-26 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, PYM1, MPEG1 SPHK1 448/4885CYP2C9 4670/4885ALDH1A1 3622/4885

“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.