SCHEMBL4140245

SCHEMBL4140245

Cn1[nH]c2cc(C(=O)C(C)(C)C)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 4/20 0.37
GLA P06280 3/20 0.37
PKM P14618 2/20 0.37
HPD P32754 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.35
IMPDH2 P12268 1/20 0.35
POLB P06746 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4400592 0.88 ALOX5 (0.47) ALOX5ACACBACACAKDM4EALDH1A1
SCHEMBL2671133 0.83 KDM4E (0.52) ALOX5KDM4EALDH1A1HSD17B10GAA
SCHEMBL4402967 0.83 ALOX5 (0.51) ALOX5ACACBACACAKDM4EALDH1A1
SCHEMBL18149140 0.72 ALOX5 (0.58) ALOX5KDM4EHPGDTP53SMN1; SMN2
SCHEMBL2671424 0.70 ALOX5 (0.51) ALOX5ACACBACACAKDM4EALDH1A1
SCHEMBL18164723 0.70 ALOX5 (0.51) ALOX5KDM4ETP53PGR
SCHEMBL4404902 0.70 ALOX5 (0.51) ALOX5ACACBACACAKDM4EALDH1A1
SCHEMBL12664007 0.70 LMNA (0.47) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL12673423 0.70 B3GNT2 (0.49) PGR
SCHEMBL12673440 0.69 MEN1 (0.46) KDM4EALDH1A1GAAKMT2APKM

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-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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 (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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ALOX5 3197/4885ACACB 2/4885ACACA 1/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ALOX5 3197/4885ACACB 2/4885ACACA 1/4885

“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.