SCHEMBL12384644

SCHEMBL12384644

CC(=O)NC1CCCC(C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
EPHX1 P07099 2/20 0.47
ATM Q13315 2/20 0.43
BTK Q06187 1/20 0.41
EPHX2 P34913 1/20 0.38
FASN P49327 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TLR4 O00206 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MITF O75030 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL14805905 0.89 EPHX1 (0.50) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL25018434 0.89 EPHX1 (0.50) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL26516211 0.89 EPHX1 (0.50) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL25018437 0.89 EPHX1 (0.50) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL12928731 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL25018770 0.85 EPHX1 (0.66) ALDH1A1KDM4EEPHX1ATMEPHX2
SCHEMBL23317922 0.84 ALDH1A1 (0.46) ALDH1A1EPHX1BTKCA1CA2
SCHEMBL8283627 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EEPHX1ATMBTK
SCHEMBL12422036 0.82 ATM (0.50) ALDH1A1KDM4EEPHX1ATMEPHX2
SCHEMBL25018678 0.82 ATM (0.50) ALDH1A1KDM4EEPHX1ATMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885KDM4E 2333/4885EPHX1 650/4885

“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.