SCHEMBL372484

SCHEMBL372484

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
ACACB O00763 1/20 0.44
MGAM O43451 1/20 0.41
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TNIK Q9UKE5 1/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL372200 0.83 ALDH1A1 (1.00) ALDH1A1ACACBMGAMRAB9AKDM4E
SCHEMBL23789477 0.81 ALDH1A1 (0.55) ALDH1A1ACACBRAB9AKMT2AKDM4E
SCHEMBL372485 0.81 ALDH1A1 (0.55) ALDH1A1ACACBMGAMRAB9AKMT2A
Biphenyl SCHEMBL372204 0.81 ALDH1A1 (0.77) ALDH1A1ACACBMGAMRAB9AHDAC4
SCHEMBL18036570 0.77 TTR (0.40) ALDH1A1MGAMRAB9AKMT2AKDM4E
SCHEMBL14268910 0.76 ALDH1A1 (0.61) ALDH1A1ACACBMGAMRAB9AKMT2A
SCHEMBL371964 0.75 RAB9A (0.55) ALDH1A1MGAMRAB9AKMT2AKDM4E
SCHEMBL371966 0.75 RAB9A (0.55) ALDH1A1MGAMRAB9AKMT2AKDM4E
SCHEMBL23781693 0.75 ALDH1A1 (0.63) ALDH1A1ACACBMGAMRAB9AKMT2A
Biphenyl SCHEMBL372236 0.75 ALDH1A1 (0.67) ALDH1A1ACACBMGAMRAB9AKMT2A

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
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-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US 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

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 ALDH1A1 4601/4885ACACB 2590/4885MGAM 16/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885MGAM 16/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885MGAM 16/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885MGAM 16/4885

“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.