SCHEMBL2608290

SCHEMBL2608290

C=C(C)C(=O)NCCNC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
GFPT1 Q06210 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 2/20 0.33
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 2/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL2608302 0.94 HCAR2 (0.41) HCAR2GFPT1ZDHHC20ZDHHC2CA12
SCHEMBL10081664 0.84 GFPT1 (0.45) HCAR2GFPT1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2608282 0.84 HCAR2 (0.42) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2608274 0.83 HCAR2 (0.47) HCAR2GFPT1ZDHHC20ZDHHC2CA12
SCHEMBL2608287 0.81 HCAR2 (0.40) HCAR2GFPT1ZDHHC20ZDHHC2CA12
SCHEMBL2608286 0.80 HCAR2 (0.39) HCAR2ZDHHC20ZDHHC2ALDH1A1MAPT
SCHEMBL10081669 0.78 ZDHHC20 (0.43) HCAR2GFPT1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2608295 0.78 TSHR (0.43) HCAR2GFPT1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL2608278 0.77 ZDHHC20 (0.51) HCAR2GFPT1ZDHHC20ZDHHC2CA12
SCHEMBL2608267 0.75 HCAR2 (0.42) HCAR2GFPT1ZDHHC20ZDHHC2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345180-B2 Display medium for assessment and method for manufacturing same ZEON CORPORATION (JP) 2022-05-31 US disclosed
US-20190184732-A1 DISPLAY MEDIUM FOR ASSESSMENT AND METHOD FOR MANUFACTURING SAME ZEON CORPORATION (JP) 2019-06-20 US disclosed
US-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
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 HCAR2 4232/4885GFPT1 1863/4885ZDHHC20 1156/4885

“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.