Sugi Predict

Sugi Predict / Compounds / SCHEMBL6131393

SCHEMBL6131393

SCHEMBL6131393

Cc1cccc(C)c1Nc1ccccc1C1(C)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.41
▸ RAPGEF4 Q8WZA2 2/20 0.40
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL12681587 0.79 TSHR (0.38) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL1921293 0.74 RAPGEF4 (0.57) PTGS2RAPGEF4HTTHTR1DALDH1A1
SCHEMBL8902292 0.73 CD44 (0.47) NPSR1TDP1LMNACYP3A4GAA
SCHEMBL4800221 0.72 RAPGEF4 (0.55) PTGS2RAPGEF4HTTALDH1A1L3MBTL1
SCHEMBL7998630 0.71 TSHR (0.38) HTTMEN1KMT2ATDP1LMNA
SCHEMBL7218518 0.70 SMN1; SMN2 (0.43) HTTNPSR1ALDH1A1POLBMEN1
SCHEMBL8790915 0.70 HSD17B10 (0.45) HTTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23193120 0.67 PTGS2 (0.50) PTGS2RAPGEF4HTTNPSR1HTR1D
SCHEMBL8790549 0.66 CYP3A4 (0.36) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL3946708 0.66 ACHE (0.50) PTGS2RAPGEF4HTTALDH1A1MEN1

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 PTGS2 2762/4885RAPGEF4 2062/4885HTT 2767/4885
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L PTGS2 2762/4885RAPGEF4 2062/4885HTT 2767/4885
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SOD1, ZC3HAV1L, OSTC PTGS2 1720/4885RAPGEF4 2322/4885HTT 3053/4885

“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.