SCHEMBL371966

SCHEMBL371966

CC(C)(C)OC(=O)O.OCC=Cc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGAM O43451 1/20 0.42
RHOA P61586 1/20 0.41
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL371964 1.00 RAB9A (0.55) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL27896105 0.88 RAB9A (0.58) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL372029 0.83 PDGFRB (0.67) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL372028 0.83 PDGFRB (0.67) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL372262 0.83 PDGFRB (0.67) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL6378320 0.81 KDM4E (0.54) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL372483 0.81 KDM4E (0.54) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL371965 0.81 KDM4E (0.54) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL6070391 0.80 KDM4E (0.74) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL30487516 0.80 KDM4E (0.74) RAB9AKDM4EKMT2ASMN1; SMN2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US claimed
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 EP claimed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US claimed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US claimed
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
EP-1345954-B1 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2008-06-04 EP disclosed
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US disclosed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US disclosed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 US disclosed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
WO-2002050093-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2002-06-27 WO disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO disclosed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 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-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives CYP2C9, CYP2B6, POR RAB9A 513/4885KDM4E 541/4885KMT2A 2229/4885
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 RAB9A 1709/4885KDM4E 211/4885KMT2A 567/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 RAB9A 1709/4885KDM4E 211/4885KMT2A 567/4885

“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.