SCHEMBL10081657

SCHEMBL10081657

C=C(C)C(=O)NCCCCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ EPHX2 P34913 10/20 0.48
▸ NAMPT P43490 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ MGAM O43451 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ DGKA P23743 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL10080728 0.98 EPHX2 (0.50) ALDH1A1EPHX2NAMPTCYP1A2GAA
SCHEMBL27780836 0.95 CYP1A2 (0.47) ALDH1A1EPHX2CYP1A2GAAMGAM
SCHEMBL19528803 0.92 CYP1A2 (0.44) ALDH1A1EPHX2CYP1A2GAAMGAM
SCHEMBL21122975 0.89 GAA (0.45) ALDH1A1EPHX2CYP1A2GAAMGAM
SCHEMBL10081654 0.88 GAA (0.50) ALDH1A1CYP1A2GAAMGAMSI
SCHEMBL12231522 0.84 PAM (0.38) ALDH1A1EPHX2NAMPTDGKA
SCHEMBL12332685 0.84 TSHR (0.50) ALDH1A1EPHX2
SCHEMBL23269433 0.83 EPHX2 (0.49) ALDH1A1EPHX2
SCHEMBL12332686 0.83 EPHX2 (0.49) ALDH1A1EPHX2
SCHEMBL10912888 0.83 EPHX2 (0.50) EPHX2DGKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 — — US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 — — US disclosed
US-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 — — US disclosed
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 — — US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 — — 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 (2 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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 ALDH1A1 1445/4885EPHX2 3419/4885NAMPT 2799/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 ALDH1A1 2720/4885EPHX2 2270/4885NAMPT 3751/4885

“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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