SCHEMBL586673

SCHEMBL586673

CC(C)(C)OCC1COCCO1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 6/20 0.39
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11045865 0.98 ALDH1A1 (0.67) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11044991 0.98 ALDH1A1 (0.67) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL12085964 0.98 ALDH1A1 (0.67) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13668184 0.91 ALDH1A1 (0.58) ALDH1A1CHRM2CHRM4CHRM5CHRM3
Oxirane SCHEMBL11628011 0.90 ALDH1A1 (0.86) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15503288 0.85 ALDH1A1 (0.55) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15503170 0.85 ALDH1A1 (0.55) ALDH1A1CHRM2CHRM4CHRM5CHRM3
SCHEMBL401560 0.83
SCHEMBL402955 0.83
SCHEMBL93565 0.83

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-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230002369-A1 Bcl-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-01-05 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-9611215-B2 Nucleophile-reactive sulfonated compounds for the (radio)labelling of (bio) molecules; precursors and conjugates thereof ADVANCED ACCELERATOR APPLICATIONS SA (FR) 2017-04-04 US disclosed
EP-2417177-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES Heraeus Precious Metals GmbH & Co. KG (DE) 2012-02-15 EP disclosed
WO-2010115623-A1 OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES H.C.STARCK CLEVIOS GMBH (DE) 2010-10-14 WO disclosed
EP-1024139-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2- 6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2000-08-02 EP 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 ALDH1A1 3125/4885CHRM2 4863/4885CHRM4 4884/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 ALDH1A1 2918/4885CHRM2 4780/4885CHRM4 4883/4885
US-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 ALDH1A1 3125/4885CHRM2 4863/4885CHRM4 4884/4885

“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.