SCHEMBL4254038

SCHEMBL4254038

CC(C)Oc1ccc2c(c1)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
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
ALDH1A1 P00352 11/20 0.53
KDM4E B2RXH2 10/20 0.53
HPGD P15428 8/20 0.53
GLA P06280 6/20 0.53
CASP1 P29466 6/20 0.53
HSD17B10 Q99714 6/20 0.53
CASP7 P55210 3/20 0.53
GAA P10253 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.51
THRB P10828 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL4254040 1.00 KMT2A (0.55) KMT2ACA1CA2CA7CA9
SCHEMBL4258170 0.90 KMT2A (0.57) KMT2ACA1CA2CA7CA9
SCHEMBL4499539 0.87 ALDH1A1 (0.64) KMT2ACA1CA2CA7CA9
SCHEMBL4499535 0.87 ALDH1A1 (0.64) KMT2ACA1CA2CA7CA9
SCHEMBL23654968 0.87 KMT2A (0.56) KMT2AALDH1A1KDM4EHPGDGLA
SCHEMBL10258380 0.86 KMT2A (0.53) KMT2ACA1CA2CA7CA9
SCHEMBL21467195 0.85 KMT2A (0.59) KMT2AALDH1A1KDM4EHPGDGLA
SCHEMBL3494575 0.85 KMT2A (0.62) KMT2ACA1CA2CA7CA9
SCHEMBL3494576 0.85 KMT2A (0.62) KMT2ACA1CA2CA7CA9
SCHEMBL471290 0.85 KMT2A (0.74) KMT2AALDH1A1KDM4EHPGDGLA

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 3 patents. 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
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 (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 2243/4885CA1 2888/4885CA2 1539/4885

“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.