SCHEMBL4519863

SCHEMBL4519863

Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ACACB O00763 2/20 0.52
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
CASP1 P29466 3/20 0.46
GLA P06280 3/20 0.46
CASP7 P55210 2/20 0.46

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
SCHEMBL4265096 1.00 KMT2A (0.55) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL16381683 0.91 KMT2A (0.52) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL12316443 0.91 KMT2A (0.52) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL20270535 0.91 KMT2A (0.52) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL4261709 0.91 KMT2A (0.52) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL25343334 0.88 KMT2A (0.49) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL25342621 0.88 KMT2A (0.49) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL12316436 0.88 KMT2A (0.48) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL12316440 0.87 KMT2A (0.48) KMT2AACACBHDAC3HDAC4HDAC1
SCHEMBL3494576 0.86 KMT2A (0.62) KMT2AACACBHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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 (1 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 2243/4885ACACB 3/4885HDAC3 26/4885

“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.