SCHEMBL10013889

SCHEMBL10013889

CCCCCC1CCC(C2CCC3=CC(=O)CCC3C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.54
CYP1A2 P05177 3/20 0.35
CYP19A1 P11511 6/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL6453415 0.91 TLR4 (0.64) TLR4CYP19A1MAPTLMNA
SCHEMBL6453405 0.91 TLR4 (0.64) TLR4CYP19A1MAPTLMNA
SCHEMBL6157017 0.91 TLR4 (0.64) TLR4CYP19A1MAPTLMNA
SCHEMBL6458053 0.84 TLR4 (0.56) TLR4
SCHEMBL6458057 0.84 TLR4 (0.56) TLR4
SCHEMBL11062755 0.84 CYP1A2 (0.38) TLR4CYP1A2CYP19A1CCR2MAPT
SCHEMBL10450736 0.82 TLR4 (0.44) TLR4CYP1A2CYP19A1CCR2MEN1
SCHEMBL10450737 0.82 TLR4 (0.44) TLR4CYP1A2CYP19A1CCR2MEN1
SCHEMBL10450733 0.82 TLR4 (0.44) TLR4CYP1A2CYP19A1CCR2MEN1
SCHEMBL10450382 0.81 TLR4 (0.43) TLR4CYP1A2CYP19A1CCR2MEN1

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-8092711-B2 Liquid crystal compound, polymerizable liquid crystal composition, optically anisotropic material, optical element and optical information writing/reading device ASAHI GLASS COMPANY, LIMITED (JP) 2012-01-10 US disclosed
US-20110069241-A1 LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2011-03-24 US disclosed
EP-2295397-A1 LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION RECORDING/PLAYBACK DEVICE Asahi Glass Company, Limited (JP) 2011-03-16 EP 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-20110069241-A1 LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE CCNE2, CCND1, CCNT1 TLR4 3725/4885CYP1A2 1252/4885CYP19A1 1769/4885

“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.