SCHEMBL829596

SCHEMBL829596

O=C(O)c1ccc(N(CC2CC2)c2cc3c4c(c2)CCCCC4CCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.44
RXRA P19793 3/20 0.44
RXRG P48443 3/20 0.44
PTGES O14684 3/20 0.39
ALOX5 P09917 2/20 0.39
LTC4S Q16873 8/20 0.39
KMO O15229 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL829556 0.96 RXRA (0.42) RXRBRXRARXRGPTGESALOX5
SCHEMBL830495 0.87 RXRB (0.47) RXRBRXRARXRGKMOKMT2A
SCHEMBL829859 0.83 RXRA (0.48) RXRBRXRARXRGKMOALDH1A1
SCHEMBL829380 0.83 RXRA (0.52) RXRBRXRARXRGLTC4SKMO
SCHEMBL31003856 0.83 KMO (0.47) RXRBRXRARXRGPTGESALOX5
SCHEMBL830065 0.81 RXRA (0.44) RXRBRXRARXRGPTGESALOX5
SCHEMBL830053 0.80 RXRA (0.50) RXRBRXRARXRGLTC4SKMO
SCHEMBL829808 0.79 RXRA (0.53) RXRBRXRARXRGLTC4SALDH1A1
SCHEMBL28592248 0.78 RXRA (0.42) RXRBRXRARXRGPTGESALOX5
SCHEMBL830317 0.76 RXRA (0.48) RXRBRXRARXRGKMOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 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-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
EP-2189440-A1 TRICYCLIC AMINE 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 (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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 RXRB 2/4885RXRA 1/4885RXRG 4/4885

“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.