SCHEMBL2394957

SCHEMBL2394957

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RARA P10276 5/20 0.54
RARB P10826 4/20 0.54
CYP26A1 O43174 3/20 0.54
CYP3A4 P08684 3/20 0.54
RARG P13631 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
TBXA2R P21731 1/20 0.51
BLVRB P30043 1/20 0.51
MITF O75030 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44

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 0.91 MEN1 (0.55) MEN1KMT2ARARARARBCYP26A1
SCHEMBL2394353 0.88 NPC1 (0.50) MEN1KMT2ARARARARBRARG
SCHEMBL2392941 0.84 KMT2A (0.54) MEN1KMT2ARARARARBCYP26A1
SCHEMBL829589 0.84 RXRA (0.43) MEN1KMT2ARARARARBCYP26A1
SCHEMBL2394385 0.83 CPT2 (0.44) MEN1KMT2ARARARARBCYP26A1
SCHEMBL2396642 0.83 P4HTM (0.53) RARARARBNPC1RAB9ANFKB1
SCHEMBL2398306 0.83 RARA (0.58) MEN1KMT2ARARARARBCYP26A1
SCHEMBL2395760 0.83 HCAR3 (0.53) RARARARBRARG
SCHEMBL2398289 0.82 NPC1 (0.45) MEN1KMT2ARARARARBRARG
SCHEMBL829839 0.82 ALDH1A1 (0.46) MEN1KMT2ARARARARBRARG

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
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

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 MEN1 3029/4885KMT2A 1560/4885RARA 8/4885

“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.