SCHEMBL13057712

SCHEMBL13057712

CCOC(=O)c1cc(OCC)c2ccc(OCc3c(C)cccc3C)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 3/20 0.42
BCL2L1 Q07817 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL13057713 0.90 P2RY14 (0.48) SMN1; SMN2
SCHEMBL13057710 0.90 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1MAOBBCL2L1
SCHEMBL2928195 0.88 BCL2L1 (0.47) ALDH1A1TDP1L3MBTL1MAOBBCL2L1
SCHEMBL2931653 0.87 PARP10 (0.42) ALDH1A1MAOBMAPTNPSR1MEN1
SCHEMBL13057669 0.87 BCL2L1 (0.49) ALDH1A1TDP1L3MBTL1MAOBBCL2L1
SCHEMBL2935746 0.85 MAOB (0.40) ALDH1A1TDP1L3MBTL1MAOBMAPT
SCHEMBL13057674 0.80 CA12 (0.51) MAOBBCL2L1MEN1KMT2ACA12
SCHEMBL2932687 0.79 P2RY14 (0.60) ALDH1A1MEN1KMT2A
SCHEMBL13057637 0.78 BCL2L1 (0.50) ALDH1A1TDP1L3MBTL1MAOBBCL2L1
SCHEMBL1634331 0.78 TDP1 (0.52) ALDH1A1TDP1L3MBTL1MAOBMAPT

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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 ALDH1A1 2522/4885TDP1 4549/4885L3MBTL1 4589/4885

“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.