SCHEMBL10080728

SCHEMBL10080728

C=C(C)C(=O)NCCCCCCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ DGKA P23743 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL10081657 0.98 ALDH1A1 (0.50) EPHX2ALDH1A1NAMPTGAADGKA
SCHEMBL27780836 0.93 CYP1A2 (0.47) EPHX2ALDH1A1GAACYP1A2MGAM
SCHEMBL19528803 0.90 CYP1A2 (0.44) EPHX2ALDH1A1GAACYP1A2MGAM
SCHEMBL21122975 0.88 GAA (0.45) EPHX2ALDH1A1GAACYP1A2MGAM
SCHEMBL10081654 0.86 GAA (0.50) ALDH1A1GAACYP1A2MGAMSI
SCHEMBL23269433 0.85 EPHX2 (0.49) EPHX2ALDH1A1TSHR
SCHEMBL12332686 0.85 EPHX2 (0.49) EPHX2ALDH1A1TSHR
SCHEMBL10912888 0.84 EPHX2 (0.50) EPHX2DGKA
SCHEMBL12231522 0.83 PAM (0.38) EPHX2ALDH1A1NAMPTDGKAKMT2A
SCHEMBL11783978 0.83 KDM4E (0.59) EPHX2ALDH1A1NAMPTGAADGKA

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 4 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-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 (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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 EPHX2 2270/4885ALDH1A1 2720/4885NAMPT 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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