SCHEMBL17616732

SCHEMBL17616732

Cc1c(-c2ccccc2)n(C(C)C)c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
BRD4 O60885 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1I2 O75469 1/20 0.40
EGFR P00533 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRD1 P41143 1/20 0.40
PDE4D Q08499 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29208194 0.75 SMN1; SMN2 (0.62) ALDH1A1L3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL1102251 0.72 KDM4E (0.62) ALDH1A1L3MBTL1SMN1; SMN2POLBTSHR
SCHEMBL12142432 0.69 POLB (0.57) ALDH1A1L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL13442408 0.69 POLB (0.62) ALDH1A1L3MBTL1NPSR1EGFRPOLB
SCHEMBL9468298 0.69 CDC25A (0.42) ALDH1A1L3MBTL1ADORA3TBXA2RPTGS2
SCHEMBL22005102 0.69 ACLY (0.46) L3MBTL1MAPTNR1I2EGFRADRA2A
SCHEMBL2833409 0.69 KDM4E (0.49) ALDH1A1L3MBTL1MAPTNPSR1POLB
SCHEMBL4615101 0.68 PTGS2 (0.38) ALDH1A1L3MBTL1SMN1; SMN2MAPTNR1I2
SCHEMBL11605581 0.67 CYP11B2 (0.38) ALDH1A1L3MBTL1SMN1; SMN2MAPTTSHR
SCHEMBL10515169 0.67 CDC25A (0.45) ALDH1A1L3MBTL1ADORA3TBXA2RPTGS2

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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 ALDH1A1 1921/4885L3MBTL1 293/4885SMN1; SMN2 1952/4885

“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.