SCHEMBL13614359

SCHEMBL13614359

CCCc1ccc(C2CC=C(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARB P10826 1/20 0.33
DRD3 P35462 1/20 0.32
MPO P05164 1/20 0.32
MCHR1 Q99705 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NAAA Q02083 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL13614326 0.95 DRD2 (0.36) DRD2OPRM1OPRD1OPRK1MEN1
SCHEMBL13324155 0.93 DRD2 (0.36) DRD2ALDH1A1DRD3MPOSLC6A4
SCHEMBL13614363 0.87 DRD2 (0.42) DRD2OPRM1OPRD1OPRK1RARB
SCHEMBL12769090 0.84 ALDH1A1 (0.41) DRD2MEN1ALDH1A1MAPK1KMT2A
SCHEMBL13614328 0.81 DRD2 (0.44) DRD2RARBDRD3FFAR4KCNA5
SCHEMBL12769107 0.81 SLC6A4 (0.40) DRD2MEN1ALDH1A1MAPK1KMT2A
SCHEMBL13614357 0.78 OPRM1 (0.39) DRD2OPRM1OPRD1OPRK1RARB
Fluoride SCHEMBL9841638 0.77 SPHK1 (0.35)
SCHEMBL22269082 0.76 ALDH1A1 (0.51) DRD2MEN1ALDH1A1MAPK1KMT2A
SCHEMBL11166462 0.76 SPHK1 (0.36) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 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-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT CCNE2, CCNE1, CCNL2 DRD2 1146/4885OPRM1 1417/4885OPRD1 1141/4885

“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.