SCHEMBL9196237

SCHEMBL9196237

CC(C)C(=O)OC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL14501302 0.81 KMT2A (0.52) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL6164008 0.81 HPGD (0.62) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL14501327 0.79 KMT2A (0.47) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL10795656 0.77 ALDH1A1 (0.57) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL9298611 0.75 KMT2A (0.56) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL14501278 0.75 GAA (0.50) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL25440299 0.74 KMT2A (0.76) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL25440072 0.73 KMT2A (1.00) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL25440183 0.73 MAPT (0.78) HPGDKMT2AALDH1A1MAPTGAA
SCHEMBL124904 0.72 ALDH1A1 (0.51) HPGDKMT2AALDH1A1MAPTGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. 2021-11-09 US disclosed
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-02-06 US disclosed
EP-0436630-B1 POLYMER-SUPPORTED 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE CATALYST AND PROCESS FOR SAME REILLY IND INC (US) 1995-12-20 EP disclosed
US-5229479-A Polymer-supported 4-(N-benzyl-N-methylamino)pyridine catalyst and process for same REILLY INDUSTRIES, INC. (US) 1993-07-20 US disclosed
US-5183895-A 4-(N-benzyl-N-methylamino)pyridine acid salts and use in preparation of polymer-supported catalysts REILLY INDUSTRIES, INC. (US) 1993-02-02 US disclosed
US-5147954-A 4-(N-benzyl-N-methylamino)pyridine acid salts and use in preparation of polymer-supported catalysts REILLY INDUSTRIES INC. (US) 1992-09-15 US disclosed
EP-0436630-A1 POLYMER-SUPPORTED 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE CATALYST AND PROCESS FOR SAME. REILLY IND INC (US) 1991-07-17 EP disclosed
EP-0435932-A1 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE ACID SALTS AND USE IN PREPARATION OF POLYMER-SUPPORTED CATALYSTS REILLY INDUSTRIES, INC. (US) 1991-07-10 EP disclosed
US-5015706-A Polymer-supported 4-(N-benzyl-N-methylamino)pyridine catalyst and process for same REILLY INDUSTRIES, INC., (US) 1991-05-14 US disclosed
US-4968806-A 4-(N-benzyl-N-methylamino)pyridine acid salts and use in preparation of polymer-supported catalysts REILLY INDUSTRIES, INC. (US) 1990-11-06 US disclosed
WO-1990003367-A2 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE ACID SALTS AND USE IN PREPARATION OF POLYMER-SUPPORTED CATALYSTS REILLY INDUSTRIES, INC. (US) 1990-04-05 WO disclosed
WO-1990003368-A2 POLYMER-SUPPORTED 4-(N-BENZYL-N-METHYLAMINO)PYRIDINE CATALYST AND PROCESS FOR SAME REILLY INDUSTRIES, INC. (US) 1990-04-05 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 (2 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-11168088-B2 Pyridylamino substituted heterotricyclic compounds, and preparation method and pharmaceutical use thereof CYP2D6, PNPO, CYP2B6 HPGD 109/4885KMT2A 2962/4885ALDH1A1 2155/4885
US-20200039983-A1 PYRIDYLAMINO SUBSTITUTED HETEROTRICYCLIC COMPOUNDS, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CYP2D6, PNPO, CYP2B6 HPGD 109/4885KMT2A 2962/4885ALDH1A1 2155/4885

“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.