SCHEMBL9945898

SCHEMBL9945898

CB(C)c1ccc(B(O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.60
LPL P06858 3/20 0.60
LIPG Q9Y5X9 3/20 0.60
ENPP2 Q13822 6/20 0.55
CA1 P00915 4/20 0.52
TSHR P16473 1/20 0.52
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MGLL Q99685 2/20 0.48
KDM4E B2RXH2 1/20 0.46
F11 P03951 1/20 0.44

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
SCHEMBL204921 0.83 ENPP2 (0.73) CA2LPLLIPGENPP2CA1
SCHEMBL12281931 0.83 CA2 (0.35) CA2LPLLIPGENPP2CA1
SCHEMBL15459223 0.81 CA2 (0.60) CA2LPLLIPGENPP2CA1
Tolyl Boronic Acid SCHEMBL5600068 0.75 CA2 (1.00) CA2LPLLIPGENPP2CA1
SCHEMBL16301136 0.75 ENPP2 (0.55) CA2ENPP2CA1TSHRCA4
Tolyl Boronic Acid SCHEMBL129197 0.75 CA2 (1.00) CA2LPLLIPGENPP2CA1
SCHEMBL14407594 0.75 CA2 (0.61) CA2LPLLIPGENPP2CA1
SCHEMBL12282435 0.73 CA2 (0.39) CA2LPLLIPGCA1MGLL
SCHEMBL806835 0.73 CA2 (0.78) CA2LPLLIPGENPP2CA1
SCHEMBL9946022 0.73 CA2 (0.39) CA2LPLLIPGCA1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CA2 3510/4885LPL 2017/4885LIPG 1774/4885

“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.