SCHEMBL1144987

SCHEMBL1144987

COC(=O)c1cc(C)c2c(cnn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE1C Q14123 2/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FUT7 Q11130 1/20 0.39

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
SCHEMBL29046616 0.85 KDM4E (0.50) KDM4EALDH1A1PDE1CATMCA12
SCHEMBL20604894 0.84 ALDH1A1 (0.42) KDM4EALDH1A1PDE1CATMCA12
SCHEMBL31662519 0.75 CA12 (0.41) KDM4EALDH1A1PDE1CCA12CA1
SCHEMBL31662290 0.74 USP2 (0.39) KDM4EALDH1A1PDE1CLMNAKMT2A
SCHEMBL30041675 0.74 PDE1C (0.57) KDM4EALDH1A1PDE1CCA12CA1
SCHEMBL1144917 0.74 PDE1C (0.57) KDM4EALDH1A1PDE1CCA12CA1
SCHEMBL30971129 0.73 PSMD14 (0.36) KDM4EALDH1A1PDE1CPOLBGAA
SCHEMBL27190313 0.73 HSD17B2 (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL12157664 0.73 CYP1A2 (0.34) KDM4EALDH1A1POLBLMNAGAA
SCHEMBL23341423 0.72 MEN1 (0.38) KDM4EALDH1A1ATMGAAHPGD

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
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 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 (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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1055/4885ALDH1A1 164/4885PDE1C 3399/4885

“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.