SCHEMBL19796701

SCHEMBL19796701

C=C(C)C(=O)OCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1CN(C)CCN

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL19796697 0.88 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19804450 0.86 CARM1 (0.37) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19796490 0.85 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19796536 0.84 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19797762 0.83 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19796979 0.81 FFAR4 (0.36) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19796703 0.79 TSHR (0.34) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19796618 0.79 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19797006 0.79 FFAR4 (0.36) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19797107 0.78 FFAR4 (0.43) CYP2C9ALDH1A1LMNAMAPTDGAT1

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 CYP2C9 4202/4885ALDH1A1 2472/4885LMNA 720/4885

“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.