SCHEMBL6131403

SCHEMBL6131403

Cc1cc(C)c(Nc2ccccc2C=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 14/20 0.54
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7760481 0.86 ALDH1A1 (0.55) RAPGEF4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL6131407 0.83 RAPGEF4 (0.54) RAPGEF4FFAR4
SCHEMBL2199650 0.81 RAPGEF4 (0.70) RAPGEF4FFAR4
SCHEMBL10695412 0.78 ALDH1A1 (0.59) ALDH1A1TSHRCYP2C9CYP2C19MEN1
SCHEMBL28360150 0.78 CYP2C9 (0.49) RAPGEF4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL31515077 0.78 RAPGEF4 (0.49) RAPGEF4NPSR1LMNA
SCHEMBL17858123 0.77 RAPGEF4 (0.71) RAPGEF4MEN1KMT2A
SCHEMBL4333864 0.77 LMNA (0.60) ALDH1A1TSHRCYP2C9CYP2C19MEN1
SCHEMBL13140103 0.76 RAPGEF4 (0.63) RAPGEF4ALDH1A1NPSR1POLBMEN1
SCHEMBL24968136 0.75 RAPGEF4 (0.43) RAPGEF4ALDH1A1TSHRCYP2C9MEN1

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-6974878-B2 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. (US) 2005-12-13 US disclosed
US-20040249157-A1 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. 2004-12-09 US disclosed
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SYMYX TECHNOLOGIES, INC. 2004-12-02 US disclosed
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SYMYX TECHNOLOGIES 2002-09-26 US disclosed
US-6316663-B1 CATALYTIC ADDITION POLYMERIZATION OF OLEFINS, DIOLEFINS, AND/OR ACETYLENIC COMPOUNDS SYMYX TECHNOLOGIES, INC. 2001-11-13 US disclosed
EP-1131283-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING AND METHODS OF MAKING SAME SYMYX TECHNOLOGIES (US) 2001-09-12 EP disclosed
WO-2001019786-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING AND METHODS OF MAKING SAME SYMYX TECHNOLOGIES (US) 2001-03-22 WO 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 (3 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-20040249157-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L RAPGEF4 2062/4885ALDH1A1 3414/4885TSHR 4215/4885
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L RAPGEF4 2062/4885ALDH1A1 3414/4885TSHR 4215/4885
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SOD1, ZC3HAV1L, OSTC RAPGEF4 2322/4885ALDH1A1 2821/4885TSHR 4109/4885

“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.