SCHEMBL15096648

SCHEMBL15096648

CC[C@@H](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.44
LIPG Q9Y5X9 13/20 0.44
ROCK1 Q13464 1/20 0.41
ESR2 Q92731 1/20 0.39
F11 P03951 1/20 0.35
EGFR P00533 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL15096650 1.00 LPL (0.44) LPLLIPGROCK1ESR2F11
SCHEMBL15096649 0.89 LIPG (0.44) LPLLIPGROCK1ESR2F11
SCHEMBL15096652 0.86 LPL (0.42) LPLLIPGROCK1ESR2F11
SCHEMBL16918907 0.85 LPL (0.41) LPLLIPGROCK1ESR2F11
SCHEMBL31294725 0.82 LPL (0.46) LPLLIPGROCK1F11EGFR
SCHEMBL28052008 0.82 LPL (0.46) LPLLIPGROCK1ESR2F11
SCHEMBL21364646 0.82 LPL (0.46) LPLLIPGROCK1F11EGFR
SCHEMBL252903 0.81 LPL (0.49) LPLLIPGROCK1ESR2EGFR
SCHEMBL29556779 0.81 LPL (0.49) LPLLIPGROCK1ESR2EGFR
SCHEMBL15096655 0.81 LPL (0.42) LPLLIPGROCK1ESR2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 LPL 4071/4885LIPG 3497/4885ROCK1 3525/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 LPL 4071/4885LIPG 3497/4885ROCK1 3525/4885

“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.