SCHEMBL829031

SCHEMBL829031

CC(=O)c1cc2c3c(c1)CCCC3CCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA5A P35218 1/20 0.38
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
CTSS P25774 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL13790186 0.96 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL829038 0.95 NPC1 (0.42) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL828937 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL13790034 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AHTTCTSS
SCHEMBL830332 0.78 KMO (0.49) ALDH1A1RAB9AMAPTKMT2AHTT
SCHEMBL13790071 0.75 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL14422341 0.70
SCHEMBL19534782 0.70 HPGD (0.36) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL20639489 0.70 KMT2A (0.33) MAPTKMT2ALMNA
SCHEMBL830331 0.70 BRD4 (0.33) ALDH1A1MAPTKMT2A

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
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
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 761/4885NPC1 905/4885RAB9A 1612/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885NPC1 904/4885RAB9A 1729/4885

“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.