SCHEMBL3494575

SCHEMBL3494575

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 9/20 0.60
ATM Q13315 3/20 0.59
HTT P42858 1/20 0.59
ACACB O00763 2/20 0.54
ACACA Q13085 1/20 0.54
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
CASP1 P29466 4/20 0.52

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
SCHEMBL3494576 1.00 KMT2A (0.62) KMT2AKDM4EATMHTTACACB
SCHEMBL21467195 0.89 KMT2A (0.59) KMT2AKDM4EATMHDAC3HDAC4
SCHEMBL471290 0.89 KMT2A (0.74) KMT2AKDM4EHDAC3HDAC4HDAC1
SCHEMBL309010 0.88 KMT2A (0.58) KMT2AKDM4EACACBACACAHDAC3
SCHEMBL2594364 0.88 KMT2A (0.58) KMT2AKDM4EACACBHDAC3HDAC4
SCHEMBL731546 0.88 KMT2A (0.58) KMT2AKDM4EHDAC3HDAC4HDAC1
SCHEMBL3490895 0.88 KMT2A (0.61) KMT2AKDM4EHDAC3HDAC4HDAC1
SCHEMBL1690779 0.88 HSD11B1 (0.60) KMT2AKDM4EHDAC3HDAC4HDAC1
SCHEMBL308621 0.88 KMT2A (0.61) KMT2AKDM4EHDAC3HDAC4HDAC1
SCHEMBL3494359 0.87 KMT2A (0.57) KMT2AKDM4EHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KMT2A 2243/4885KDM4E 1062/4885ATM 642/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KMT2A 1419/4885KDM4E 1143/4885ATM 622/4885

“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.