SCHEMBL829595

SCHEMBL829595

CC12CCCc3cc(N(CC4CC4)c4ncc(C(=O)O)cn4)cc(c31)CCC2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.59
RXRB P28702 4/20 0.59
RXRG P48443 4/20 0.59
LTC4S Q16873 12/20 0.40
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
HCAR3 P49019 1/20 0.32

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
SCHEMBL829946 0.87 RXRA (0.56) RXRARXRBRXRGLTC4SKDM4C
SCHEMBL830065 0.84 RXRA (0.44) RXRARXRBRXRGLTC4SKDM4C
SCHEMBL829808 0.83 RXRA (0.53) RXRARXRBRXRGLTC4SKDM4C
SCHEMBL829380 0.82 RXRA (0.52) RXRARXRBRXRGLTC4SKDM4C
SCHEMBL830043 0.81 ALDH1A1 (0.43) RXRARXRBRXRGLTC4SKDM4C
SCHEMBL502086 0.74 RXRA (1.00) RXRARXRBRXRGPPARGNR1H3
SCHEMBL5179522 0.74 RXRA (0.58) RXRARXRBRXRGLTC4SKDM4E
SCHEMBL829812 0.73 RXRA (0.49) RXRARXRBRXRGKDM4CKDM4E
SCHEMBL829279 0.72 RXRA (0.56) RXRARXRBRXRGKDM4CALDH1A1
SCHEMBL829288 0.72 RXRA (0.48) RXRARXRBRXRGKDM4CKDM4E

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 RXRA 1/4885RXRB 2/4885RXRG 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.