SCHEMBL839745

SCHEMBL839745

CCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.39
CA1 P00915 4/20 0.39
ALDH2 P05091 2/20 0.36
MAPK1 P28482 1/20 0.34
CPB2 Q96IY4 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KLK7 P49862 1/20 0.32
CTSK P43235 2/20 0.31
POLB P06746 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
SCHEMBL19900563 0.82 CA2 (0.46) CA2CA1MAPK1CTSK
SCHEMBL19900476 0.82 CA2 (0.46) CA2CA1MAPK1CTSK
SCHEMBL27400707 0.82 CA2 (0.38) CA2CA1MAPK1CTSK
SCHEMBL19900480 0.82 CA2 (0.46) CA2CA1MAPK1CTSK
SCHEMBL840318 0.81 PTPN1 (0.31)
SCHEMBL16145710 0.81 ZDHHC7 (0.38) CA2CA1
SCHEMBL6517447 0.79 FAAH (0.36) CA2CA1
SCHEMBL19506118 0.79 FFAR1 (0.41)
SCHEMBL9842167 0.77 GPR84 (0.44) CA2MAPK1
SCHEMBL30953258 0.77 PKM (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315486-B2 Therapeutic cyclopentanols, compositions thereof, and methods for use thereof ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF ALLERGAN, INC. 2015-04-30 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20150119454-A1 THERAPEUTIC CYCLOPENTANOLS, COMPOSITIONS THEREOF, AND METHODS FOR USE THEREOF PTGIS, PDE3A, PTGIR CA2 276/4885CA1 2819/4885ALDH2 662/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 CA2 2174/4885CA1 2918/4885ALDH2 670/4885

“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.