SCHEMBL4572168

SCHEMBL4572168

CCOC(=O)CCC1CCC(C2CCC3CC(CCC4OC(C)O4)CCC3C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
KLK7 P49862 1/20 0.31
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL14864455 0.87 EPHX2 (0.43) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL4569186 0.81 MAPT (0.43) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL10073831 0.80 ALDH1A1 (0.46) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL12284783 0.77 ALDH1A1 (0.43) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL3476775 0.75 ALDH1A1 (0.43) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL18623243 0.75 ALDH1A1 (0.50) ALDH1A1TDP1USP2ALOX15HPGD
SCHEMBL3912258 0.72 ALDH1A1 (0.42) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL11953521 0.72 ALDH1A1 (0.45) ALDH1A1TDP1USP2ALOX15HPGD
SCHEMBL19853866 0.72 ALDH1A1 (0.47) EPHX2ALDH1A1TDP1USP2ALOX15
SCHEMBL3477288 0.71 ALDH1A1 (0.40) EPHX2ALDH1A1TDP1USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123074-A1 DI(METH)ACRYLATE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2012-05-17 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-20120123074-A1 DI(METH)ACRYLATE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE METTL3, METTL14, METTL16 EPHX2 3872/4885ALDH1A1 1361/4885TDP1 1074/4885

“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.