SCHEMBL828937

SCHEMBL828937

O=C(O)c1cc2c3c(c1)CCCC3CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KMO O15229 1/20 0.46
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KDM1A O60341 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SRD5A1 P18405 3/20 0.36
SRD5A2 P31213 3/20 0.36
CTSS P25774 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL13790034 0.96 ALDH1A1 (0.46) ALDH1A1KMOKDM4EMAPTHTT
SCHEMBL830332 0.94 KMO (0.49) ALDH1A1KMOKDM4EMAPTHTT
SCHEMBL829031 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTKMT2ACTSS
SCHEMBL2394763 0.81 MEN1 (0.54) ALDH1A1HTTCYP1A2MEN1KMT2A
SCHEMBL13790186 0.80 ALDH1A1 (0.41) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL829800 0.80 ALDH1A1 (0.41) ALDH1A1KMOMAPTHTTCYP1A2
SCHEMBL2394947 0.78 RAB9A (0.52) ALDH1A1MAPTHTTMEN1POLB
SCHEMBL829038 0.78 NPC1 (0.42) ALDH1A1KMOMAPTCYP1A2MEN1
SCHEMBL830317 0.77 RXRA (0.48) ALDH1A1KMOKDM4ECYP1A2MEN1
SCHEMBL2393053 0.76 MEN1 (0.52) ALDH1A1MAPTHTTCYP1A2MEN1

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 ALDH1A1 761/4885KMO 4004/4885KDM4E 3386/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885KMO 2573/4885KDM4E 2435/4885

“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.