SCHEMBL2398306

SCHEMBL2398306

CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)c(F)c4)cc(c31)CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.58
RARB P10826 4/20 0.58
RARG P13631 3/20 0.58
CPT1A P50416 8/20 0.46
CPT1B Q92523 8/20 0.46
CPT2 P23786 7/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
APLNR P35414 1/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 3/20 0.42
LY96 Q9Y6Y9 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2394316 0.89 RARA (0.46) RARARARBRARGCPT1ACPT1B
SCHEMBL2392941 0.88 KMT2A (0.54) RARARARBRARGNPC1RAB9A
SCHEMBL2394385 0.87 CPT2 (0.44) RARARARBRARGCPT1ACPT1B
SCHEMBL2398289 0.85 NPC1 (0.45) RARARARBRARGCPT1ACPT1B
SCHEMBL2394957 0.83 MEN1 (0.54) RARARARBRARGNPC1RAB9A
SCHEMBL2398403 0.80 RARA (0.49) RARARARBRARGCPT1ACPT1B
SCHEMBL2390930 0.79 SMN1; SMN2 (0.50) RARARARBRARGNPC1RAB9A
SCHEMBL2394623 0.79 RARA (0.48) RARARARBRARGCPT1ACPT1B
SCHEMBL2394352 0.78 NPC1 (0.45) RARARARBRARGNPC1RAB9A
SCHEMBL2393263 0.78 SMN1; SMN2 (0.43) RARARARBRARGCPT1ACPT1B

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
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-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-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 (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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG RARA 8/4885RARB 12/4885RARG 10/4885

“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.