SCHEMBL4262003

SCHEMBL4262003

Cc1cc2c(cc1C)C(=O)CC1(CCNCC1)O2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HDAC3 O15379 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC1 Q13547 8/20 0.50
HDAC7 Q8WUI4 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC9 Q9UKV0 8/20 0.50
HDAC5 Q9UQL6 8/20 0.50
ATM Q13315 3/20 0.50
HTT P42858 1/20 0.50
ACACB O00763 2/20 0.48
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
Ammonia Solution, Strong SCHEMBL4264282 0.98 KDM4E (0.50) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL4258793 0.89 KDM4E (0.47) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL12316442 0.89 KDM4E (0.47) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL16335016 0.89 HDAC3 (0.49) KDM4EHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL17746843 0.88 HDAC3 (0.48) KDM4EHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4260701 0.88 KDM4E (0.46) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL4348597 0.86 KDM4E (0.68) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL4352678 0.84 KDM4E (0.68) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL4257856 0.82 KDM4E (0.76) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL12316441 0.81 HDAC3 (0.46) KDM4EHDAC3HDAC4HDAC1HDAC7

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 KDM4E 1062/4885HDAC3 26/4885HDAC4 173/4885

“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.