SCHEMBL1818709

SCHEMBL1818709

COc1ccccc1C(C)(Oc1ccccc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TTR P02766 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 3/20 0.39
CTNNB1 P35222 1/20 0.38

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
SCHEMBL1821692 0.94 HTT (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL1820279 0.93 ALDH1A1 (0.42) KMT2ASMN1; SMN2ALDH1A1HTTGAA
SCHEMBL1819287 0.90 MAPT (0.41) KMT2APOLBALDH1A1HPGDHTT
SCHEMBL1819393 0.89 PARP1 (0.44) KMT2APOLBSMN1; SMN2HPGDKDM4E
SCHEMBL1820378 0.89 KMT2A (0.40) KMT2APOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL1821619 0.88 CTNNB1 (0.49) KMT2ASMN1; SMN2KDM4EHTTTTR
SCHEMBL1819152 0.85 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1824424 0.83 ALDH1A1 (0.42) KMT2ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1818643 0.81 ALDH1A1 (0.44) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL1819040 0.81 MAPT (0.41) KMT2AMEN1MAPTCTNNB1L3MBTL1

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 KMT2A 4052/4885POLB 1708/4885SMN1; SMN2 598/4885

“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.