SCHEMBL9893746

SCHEMBL9893746

CC(C)(O)C(C)(C)OB(O)c1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.63
ENPP2 Q13822 1/20 0.47
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
BRD4 O60885 1/20 0.40
HTR1A P08908 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
DRD2 P14416 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
CCR5 P51681 1/20 0.38
LTA4H P09960 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
SCHEMBL3298962 0.89 LIPE (0.52) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL14313888 0.82 LIPE (0.39) LIPEENPP2MAPTLMNAGAA
SCHEMBL3465794 0.79 ENPP2 (0.56) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL132403 0.78 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL29591898 0.78 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL17744700 0.78 FFAR4 (0.46) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL16105748 0.77 ALOX5 (0.47) LIPE
SCHEMBL7423167 0.76 LIPE (0.35) LIPEENPP2
SCHEMBL3825559 0.75 ENPP2 (0.36) LIPEENPP2L3MBTL1RXRARXRB
SCHEMBL9893794 0.75 MAOB (0.48) MAPTL3MBTL1GAA

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
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LIPE 3056/4885ENPP2 147/4885MAPT 2718/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LIPE 3056/4885ENPP2 147/4885MAPT 2718/4885

“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.