SCHEMBL11922166

SCHEMBL11922166

CC(C)Oc1cc(CC(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PTGES O14684 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11926431 0.81 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17449698 0.79 FFAR4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28920913 0.77 GABRA1 (0.46) HMGCRPOLBALDH1A1
SCHEMBL25530520 0.76 EPHX2 (0.38) HMGCRGRIN2BNR1H4ALDH1A1
SCHEMBL19294275 0.74 ALDH1A1 (0.44) HMGCRNR1H4ALDH1A1
SCHEMBL13172410 0.74 FFAR4 (0.35) HMGCRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12866893 0.74 DHFR (0.46) POLBALDH1A1
SCHEMBL7803069 0.73 KAT6A (0.36) HMGCRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13172494 0.73 NR1H4 (0.34) HMGCRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14919291 0.73 NR1H4 (0.34) HMGCRGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 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 (3 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 HMGCR 1325/4885GRIN2D 4251/4885GRIN3B 3500/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 HMGCR 1325/4885GRIN2D 4251/4885GRIN3B 3500/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 HMGCR 1325/4885GRIN2D 4251/4885GRIN3B 3500/4885

“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.