SCHEMBL1783049

SCHEMBL1783049

COC(=O)c1ccc(C2=CCC3(CC2)OCCO3)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.43
IKBKE Q14164 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.39
PRF1 P14222 1/20 0.37
BTK Q06187 3/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL3808150 0.91 IKBKE (0.37) TBK1IKBKESUV39H2PRF1ALDH1A1
SCHEMBL24774710 0.87 TBK1 (0.43) TBK1IKBKESUV39H2BTKSLC6A3
SCHEMBL2945528 0.85 IKBKE (0.41) TBK1IKBKESUV39H2ALDH1A1KDM4E
SCHEMBL25705845 0.85 TBK1 (0.45) TBK1IKBKESUV39H2ALDH1A1HPGD
SCHEMBL18640147 0.79 SUV39H2 (0.48) TBK1IKBKESUV39H2ALDH1A1KDM4E
SCHEMBL1780682 0.77 CA12 (0.43) TBK1IKBKEALDH1A1KDM4EMAPT
SCHEMBL32662334 0.77 SLC6A3 (0.41) BTKALDH1A1KDM4EHSD17B10POLB
SCHEMBL27264994 0.77 SLC6A3 (0.41) BTKALDH1A1KDM4EHSD17B10POLB
SCHEMBL15897172 0.75 TBK1 (0.39) TBK1IKBKESUV39H2BTKALDH1A1
SCHEMBL14403246 0.75 TBK1 (0.43) TBK1IKBKESUV39H2

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
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 TBK1 1854/4885IKBKE 964/4885SUV39H2 4265/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 TBK1 1854/4885IKBKE 964/4885SUV39H2 4265/4885

“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.