SCHEMBL2608286

SCHEMBL2608286

C=C(C)C(=O)NCCCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 6/20 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
SCHEMBL2608282 0.90 HCAR2 (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL2608302 0.86 HCAR2 (0.41) HCAR2MAPTALDH1A1ZDHHC20ZDHHC2
SCHEMBL10081655 0.86 ATM (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL2608262 0.82 ZDHHC20 (0.46) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL12315814 0.82 HCAR2 (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL2608295 0.82 TSHR (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL2608284 0.81 TSHR (0.51) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18364397 0.81 HCAR2 (0.44) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL2608290 0.80 HCAR2 (0.43) HCAR2MAPTALDH1A1TSHRZDHHC20
SCHEMBL2608285 0.80 ALDH1A1 (0.39) ALDH1A1TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454857-B2 Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers and optically anisotropic materials ZEON CORPORATION (JP) 2013-06-04 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-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-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 HCAR2 4232/4885ATM 2719/4885MAPT 303/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 HCAR2 4232/4885ATM 2814/4885MAPT 252/4885

“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.