SCHEMBL18359130

SCHEMBL18359130

CCCC(CCCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.55
AKR1A1 P14550 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
DRD3 P35462 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
GRIK1 P39086 3/20 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
SCHEMBL27668285 0.93 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28756039 0.88 TDP1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17079748 0.85 MEN1 (0.49) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8882482 0.83 GRIK1 (0.49) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8237941 0.83 CA1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7051239 0.82 HDAC1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28017856 0.82 CHRM1 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6448846 0.82 HDAC1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16798232 0.82 HDAC1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28625289 0.81 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809668-B2 Polymerizable compound, composition, polymer, optically anisotropic body, liquid crystal display device, and organic EL device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-01-05 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-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC CHRM1 3395/4885AKR1A1 3556/4885CHRM3 3490/4885
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC CHRM1 3395/4885AKR1A1 3556/4885CHRM3 3490/4885

“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.