SCHEMBL6350780

SCHEMBL6350780

CC(C)CNCc1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
CA2 P00918 3/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MPO P05164 1/20 0.37
TPO P07202 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.36
CYP2C19 P33261 1/20 0.36
DNM1 Q05193 1/20 0.35

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
SCHEMBL13287109 0.81 LIPG (0.48) LIPGCA2CYP2D6TSHRHIF1A
SCHEMBL17539677 0.79 LIPG (0.52) LIPGCA2ALDH1A1CYP2D6TSHR
SCHEMBL26010250 0.78 PKM (0.50) LIPGALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL26009770 0.78 LIPG (0.50) LIPGCA2ALDH1A1CYP2D6TSHR
SCHEMBL18756245 0.78 TSHR (0.67) CA2CYP2D6TSHRHIF1AMPO
SCHEMBL15981402 0.78 LIPG (0.46) LIPGALDH1A1KMT2A
SCHEMBL15745843 0.78 CA12 (0.58) LIPGCA2TSHRMPOCA12
SCHEMBL15745844 0.78 CA12 (0.58) LIPGCA2CYP2D6TSHRCA12
SCHEMBL26486284 0.76 MPO (0.40) CA2ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL6348017 0.76 PKM (0.58) LIPGALDH1A1CYP2D6TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154303-A2 DYNAMIC-COVALENT HYDROGELS WITH GLUCOSE-SPECIFIC AND GLUCOSE-RESPONSIVE DIBORONATE CROSSLINKING UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-17 WO disclosed
US-6919382-B2 Preparation and uses of conjugated solid supports for boronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2005-07-19 US disclosed
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids GOVERNORS OF THE UNIVERSITY OF ALBERTA, THE (CA) 2003-03-06 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 (1 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-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids SLC43A1, SBDS, SLC7A5 LIPG 4136/4885CA2 2906/4885ALDH1A1 1529/4885

“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.