Sugi Predict

Sugi Predict / Compounds / SCHEMBL6131394

SCHEMBL6131394

SCHEMBL6131394

CC(C)c1cccc(C(C)C)c1Nc1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CXCL8 P10145 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SOAT2 O75908 1/20 0.35
▸ SOAT1 P35610 1/20 0.35

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
SCHEMBL6131409 0.84 L3MBTL1 (0.39) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL6131410 0.83 LPAR1 (0.38) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL6744857 0.82 LMNA (0.47) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL31447156 0.82 LMNA (0.47) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL13944066 0.79 CXCL8 (0.38) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL7760481 0.77 ALDH1A1 (0.55) LMNAKMT2ACXCL8MEN1THRB
SCHEMBL1821014 0.76 LMNA (0.51) LMNAKMT2ALPAR1L3MBTL1CXCL8
SCHEMBL385724 0.76 LMNA (0.55) LMNAKMT2AL3MBTL1MEN1THRB
SCHEMBL4333864 0.75 LMNA (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL4804825 0.75 CXCL8 (0.44) LMNAKMT2ALPAR1L3MBTL1CXCL8

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 6 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
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 LMNA 3938/4885KMT2A 2527/4885LPAR1 2713/4885
US-20040242881-A1 Catalyst ligands, catalytic metal complexes and processes using same SOD1, OSTC, ZC3HAV1L LMNA 3938/4885KMT2A 2527/4885LPAR1 2713/4885
US-20020137934-A1 Catalyst ligands, catalytic metal complexes and processes using and methods of making same SOD1, ZC3HAV1L, OSTC LMNA 3914/4885KMT2A 2238/4885LPAR1 2785/4885

“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.