SCHEMBL830332

SCHEMBL830332

O=C(O)c1cc2c3c(c1)CCCCC3CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
ALDH1A1 P00352 4/20 0.47
ACMSD Q8TDX5 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM1A O60341 1/20 0.38
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL828937 0.94 ALDH1A1 (0.48) KMOALDH1A1ACMSDKDM4EMAPT
SCHEMBL13790034 0.91 ALDH1A1 (0.46) KMOALDH1A1ACMSDKDM4EMAPT
SCHEMBL829038 0.84 NPC1 (0.42) KMOALDH1A1MAPTKMT2AMEN1
SCHEMBL2393053 0.81 MEN1 (0.52) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL830021 0.80 KMO (0.42) KMOALDH1A1KDM4EKMT2AMEN1
SCHEMBL2394945 0.79 RAB9A (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL830053 0.78 RXRA (0.50) KMOALDH1A1KDM4EKMT2AMEN1
SCHEMBL829031 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHTTTDP1
SCHEMBL830231 0.77 AURKA (0.40) KMOALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396270 0.76 HCAR3 (0.56) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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 (2 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG KMO 4004/4885ALDH1A1 761/4885ACMSD 930/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 KMO 2573/4885ALDH1A1 727/4885ACMSD 1384/4885

“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.