SCHEMBL804843

SCHEMBL804843

Cc1cc(=O)cc(C(C)(C)C)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL10787662 0.85 ALOX15 (0.44) NQO1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL9586 0.77
Hydrochloric Acid SCHEMBL10821353 0.75 NQO1 (0.94) NQO1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL13891669 0.72 ALOX15 (0.36) NQO1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL918518 0.71
SCHEMBL12867868 0.71 KMT2A (0.50) MEN1KMT2AL3MBTL1ALOX15TSHR
SCHEMBL14449832 0.69 PRKDC (0.45) MEN1KMT2AALOX15CA1CA9
SCHEMBL12867825 0.67 PRKDC (0.56) CA9CYP3A4NPC1RAB9AKDM4E
SCHEMBL29094962 0.67
SCHEMBL20017892 0.67 ALOX15 (0.38) NQO1MEN1KMT2AL3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030266-B1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORP (JP) 2016-03-23 EP disclosed
US-20120071695-A1 Synthetic Method of 5,5-Dimethyl-2,4-Adipaldehyde-0,0-Boron Difluoride BEIJING AGLAIA TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2012-03-22 US disclosed
US-20120071695-A1 Synthetic Method of 5,5-Dimethyl-2,4-Adipaldehyde-0,0-Boron Difluoride BEIJING AGLAIA TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2012-03-22 US disclosed
US-7993747-B2 Light emitting devices and compositions comprising lumophore-functionalized nanoparticles NITTO DENKO CORPORATION (JP) 2011-08-09 US disclosed
US-7993747-B2 Light emitting devices and compositions comprising lumophore-functionalized nanoparticles NITTO DENKO CORPORATION (JP) 2011-08-09 US disclosed
WO-2007136588-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2007-11-29 WO disclosed
US-20070262302-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2007-11-15 US disclosed
US-20070262302-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2007-11-15 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-20120071695-A1 Synthetic Method of 5,5-Dimethyl-2,4-Adipaldehyde-0,0-Boron Difluoride FABP5, FDFT1, FABP4 NQO1 857/4885MEN1 2216/4885KMT2A 1459/4885

“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.