SCHEMBL2608261

SCHEMBL2608261

C=CC(=O)OCCCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 2/20 0.60
HPGD P15428 1/20 0.55
HCAR2 Q8TDS4 5/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 2/20 0.39
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2608260 0.93 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL2608276 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL12315803 0.85 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL2608262 0.84 ZDHHC20 (0.46) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL3513704 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT
SCHEMBL3515210 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT
SCHEMBL10498416 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT
SCHEMBL10498427 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT
SCHEMBL7536955 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT
SCHEMBL7536946 0.83 HCAR2 (0.67) TSHRHPGDHCAR2ATMMAPT

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 6 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-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 TSHR 4683/4885ALDH1A1 1445/4885CYP3A4 2338/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885ALDH1A1 2720/4885CYP3A4 2218/4885

“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.