SCHEMBL830053

SCHEMBL830053

CN(c1ccc(C(=O)O)cc1)c1cc2c3c(c1)CCCCC3CCCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
KMO O15229 1/20 0.40
KDM4C Q9H3R0 8/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
MYC P01106 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 5/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NPC1 O15118 1/20 0.36
LTC4S Q16873 1/20 0.36

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
SCHEMBL830317 0.96 RXRA (0.48) RXRARXRBRXRGKMOKDM4C
SCHEMBL830495 0.84 RXRB (0.47) RXRARXRBRXRGKMOKDM4C
SCHEMBL829627 0.83 RAB9A (0.42) ALDH1A1POLBKDM4ENPC1
SCHEMBL829809 0.82 ALDH1A1 (0.40) KDM4CALDH1A1KMT2AMEN1KDM4E
SCHEMBL831240 0.81 KDM4E (0.43) RXRARXRBRXRGKMOKDM4C
SCHEMBL31003890 0.81 KMO (0.51) RXRARXRBRXRGKMOALDH1A1
SCHEMBL829596 0.80 RXRB (0.44) RXRARXRBRXRGKMOALDH1A1
SCHEMBL829859 0.80 RXRA (0.48) RXRARXRBRXRGKMOKDM4C
SCHEMBL830332 0.78 KMO (0.49) KMOALDH1A1KMT2AMEN1POLB
SCHEMBL31003798 0.77 KMO (0.41) RXRARXRBRXRGKMOKMT2A

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 8 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
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.