SCHEMBL419812

SCHEMBL419812

CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
AMY1A P0DUB6 7/20 0.50
PTGS2 P35354 1/20 0.49
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.44
GALK1 P51570 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
CASP6 P55212 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KAT8 Q9H7Z6 1/20 0.43
NOX4 Q9NPH5 1/20 0.42

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
SCHEMBL446661 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL446662 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL419809 0.86 AMY1A (0.68) ALDH1A1KMT2AMEN1AMY1APTGS2
SCHEMBL446086 0.86 AMY1A (0.68) ALDH1A1KMT2AMEN1AMY1APTGS2
SCHEMBL5463703 0.80 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL5463701 0.80 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL12104815 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL1303696 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1AMY1A
SCHEMBL5464531 0.71 NOX4 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL5464529 0.71 NOX4 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 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 (3 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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP ALDH1A1 3582/4885KDM4E 2177/4885KMT2A 2334/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885KDM4E 1357/4885KMT2A 1703/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885KDM4E 1357/4885KMT2A 1703/4885

“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.