SCHEMBL13614287

SCHEMBL13614287

CCCC1CCC(C2CCC(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.40
CRHR1 P34998 3/20 0.36
MCHR1 Q99705 2/20 0.36
ESR2 Q92731 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CASR P41180 1/20 0.35
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL13614297 0.93 DRD2 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL21321657 0.88 DRD2 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19722140 0.87 DRD2 (0.39) CYP2C9MAPTDRD2CRHR1MCHR1
SCHEMBL19721887 0.86 MCHR1 (0.39) CYP2C9ALDH1A1MEN1MAPK1KMT2A
SCHEMBL19721911 0.85 DRD2 (0.38) CYP2C9ALDH1A1MAPTDRD2MCHR1
SCHEMBL9399882 0.84 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8045462 0.84 DRD2 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8045452 0.84 DRD2 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7903735 0.84 DRD2 (0.54) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13614289 0.83 ESR2 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1

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 CYP2C9 1998/4885ALDH1A1 3018/4885LMNA 828/4885

“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.