SCHEMBL829589

SCHEMBL829589

CC12CCCc3cc(Nc4ccc(C(=O)O)cc4)cc(c31)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 4/20 0.41
CYP26A1 O43174 3/20 0.41
RARA P10276 3/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL11955422 0.85 MEN1 (0.55) RXRARXRBRXRGKMT2ACYP26A1
SCHEMBL2394957 0.84 MEN1 (0.54) KMT2ACYP26A1RARARARBRARG
SCHEMBL829649 0.83 RAB9A (0.48) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL2394756 0.81 ING2 (0.53) KMT2ACYP26A1MEN1ALDH1A1SMN1; SMN2
SCHEMBL829839 0.81 ALDH1A1 (0.46) RXRARXRBRXRGKDM4EKMT2A
SCHEMBL830054 0.81 HDAC6 (0.39) RXRARXRBRXRG
SCHEMBL830263 0.77 RXRA (0.47) RXRARXRBRXRGKMT2ARARA
SCHEMBL2396649 0.77 SMN1; SMN2 (0.47) RXRAKDM4EKMT2ACYP26A1RARA
SCHEMBL829800 0.75 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL829279 0.74 RXRA (0.56) RXRARXRBRXRGRARARARB

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 5 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-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.