SCHEMBL13614299

SCHEMBL13614299

C=CC(=O)Oc1ccc(-c2ccc(C3CCC(C4CCC(CCC)CC4)CC3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MMP2 P08253 7/20 0.39
MMP3 P08254 7/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 3/20 0.34
SOAT1 P35610 1/20 0.34
S1PR1 P21453 2/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL13614290 0.94 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMMP2
SCHEMBL74271 0.86 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTTHRB
SCHEMBL12386500 0.84 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTTHRB
SCHEMBL13614333 0.84 THRB (0.57) MAPTMMP2MMP3MMP1MMP9
SCHEMBL13614297 0.83 DRD2 (0.40) CYP2C9ALDH1A1LMNAMAPTMMP2
SCHEMBL74879 0.83 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTTHRB
SCHEMBL1655552 0.83 CYP2C9 (0.57) CYP2C9ALDH1A1LMNAMAPTTHRB
SCHEMBL13614298 0.81 ESR2 (0.49) CYP2C9ALDH1A1LMNAMAPTMMP2
SCHEMBL19721925 0.81 MMP2 (0.35) CYP2C9ALDH1A1LMNAMAPTMMP2
SCHEMBL76060 0.80 THRB (0.49) CYP2C9ALDH1A1LMNAMAPTTHRB

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 2 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-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.