SCHEMBL22645757

SCHEMBL22645757

COc1cccc2occ(C(C)(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
KCNA5 P22460 3/20 0.40
EDNRA P25101 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
AR P10275 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NQO1 P15559 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL916641 0.77 EDNRA (0.46) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL1742326 0.71 KDM4E (0.52) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL914152 0.71 TLR2 (0.49) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL914583 0.71 MAOA (0.44) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL14341669 0.71 MAOA (0.41) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL23917059 0.71 KCNA5 (0.43) KCNA5ALDH1A1KDM4EHPGDNPC1
SCHEMBL28467498 0.70 MAOA (0.54) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL11303554 0.69 NQO1 (0.41) MAOAEDNRAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7822255 0.69 EDNRA (0.54) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL17785107 0.69 MAOA (0.39) MAOAEDNRAALDH1A1KDM4EHPGD

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-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 US disclosed
US-20200354382-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2020-11-12 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 (4 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-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 MAOA 3942/4885KCNA5 4073/4885EDNRA 2837/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 MAOA 3929/4885KCNA5 4137/4885EDNRA 2845/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 MAOA 3942/4885KCNA5 4073/4885EDNRA 2837/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 MAOA 3929/4885KCNA5 4137/4885EDNRA 2845/4885

“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.