SCHEMBL372483

SCHEMBL372483

CC(C)(C)OC(=O)OC/C=C\c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 4/20 0.52
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARA Q07869 1/20 0.41
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
MGAM O43451 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL371965 1.00 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6378320 1.00 KDM4E (0.54) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6301196 0.84 KDM4E (0.60) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6301193 0.84 KDM4E (0.60) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL7738389 0.81 KMT2A (0.52) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL371964 0.81 RAB9A (0.55) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL371966 0.81 RAB9A (0.55) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL14268916 0.81 PDGFRB (0.56) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL6070391 0.80 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB
SCHEMBL29733054 0.80 KDM4E (0.74) KDM4EKMT2ASMN1; SMN2RAB9APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 EP disclosed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US disclosed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 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
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US 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 (4 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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885

“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.