SCHEMBL3045867

SCHEMBL3045867

COc1ccc(C(=O)Cl)c(C(C)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
CYP3A4 P08684 2/20 0.62
MAPK1 P28482 1/20 0.62
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 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
SCHEMBL11197823 0.90 NPC1 (0.55) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL13094612 0.88 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL3037245 0.83 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL11699427 0.83 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL2305372 0.81 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL9541390 0.80 KDM4E (0.58) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL696853 0.79 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL473972 0.79 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL22717132 0.79 RAB9A (0.52) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL220681 0.79 NPC1 (0.64) ALDH1A1HPGDCYP3A4MAPTKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7744910-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-29 US disclosed
US-7727558-B2 Polymeric delivery agents and delivery agent compounds EMISPHERE TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
EP-1237872-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2008-02-27 EP disclosed
US-20070141022-A1 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS EMISPHERE TECHNOLOGIES, INC. 2007-06-21 US disclosed
US-7208483-B2 Polymeric delivery agents and delivery agent compounds EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-24 US disclosed
US-7186414-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC (US) 2007-03-06 US disclosed
US-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-11 US disclosed
EP-1676832-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2006-07-05 EP disclosed
US-6991798-B1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-01-31 US disclosed
US-20050272638-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-08 US disclosed
US-20030232085-A1 Polymeric delivery agents and delivery agent compounds EMISPHERE TECHNOLOGIES, INC. 2003-12-18 US disclosed
US-20030216589-A1 Compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-11-20 US disclosed
US-6627228-B1 Polymeric delivery agents and delivery agents compounds EMISPHERE TECHNOLOGIES, INC. 2003-09-30 US disclosed
EP-1237872-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-09-11 EP disclosed
EP-1146860-A4 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS EMISPHERE TECH INC (US) 2002-07-03 EP disclosed
EP-1146860-A2 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS Emisphere Technologies, Inc. (US) 2001-10-24 EP disclosed
WO-2001044199-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-06-21 WO disclosed
EP-1102742-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2001-05-30 EP disclosed
WO-2000040203-A2 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS EMISPHERE TECHNOLOGIES, INC. (US) 2000-07-13 WO disclosed
WO-2000007979-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-02-17 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 (5 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-20070010422-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 ALDH1A1 2208/4885HPGD 861/4885CYP3A4 3303/4885
US-20030216589-A1 Compounds and compositions for delivering active agents IDUA, ALG1, APOB ALDH1A1 3939/4885HPGD 2736/4885CYP3A4 4837/4885
US-20070141022-A1 POLYMERIC DELIVERY AGENTS AND DELIVERY AGENT COMPOUNDS LPXN, PGF, TTPA ALDH1A1 3038/4885HPGD 583/4885CYP3A4 2850/4885
US-20050272638-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 ALDH1A1 2208/4885HPGD 861/4885CYP3A4 3303/4885
US-20030232085-A1 Polymeric delivery agents and delivery agent compounds LPXN, PGF, TTPA ALDH1A1 3038/4885HPGD 583/4885CYP3A4 2850/4885

“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.