SCHEMBL1898096

SCHEMBL1898096

CC(C)(C)CC(C)(C)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.45
MAPK1 P28482 6/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 5/20 0.45
RAB9A P51151 5/20 0.45
EGFR P00533 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
PABPC1 P11940 2/20 0.45
NSD2 O96028 1/20 0.45
ADORA2A P29274 1/20 0.44
NPC1 O15118 4/20 0.41
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP6 Q9GZR1 3/20 0.41
SENP8 Q96LD8 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41

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
SCHEMBL30069214 0.85 MAPK1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL187695 0.85 MAPK1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
Anthraquinone SCHEMBL29222026 0.80 ADORA2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL50547 0.80 ADORA2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL20809916 0.75 MAPT (0.43) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL11876518 0.73 ADORA2A (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL431154 0.73 ADORA2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL12445275 0.73 MAPT (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL12445318 0.73 MEN1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT
SCHEMBL9499482 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPK1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004967-A1 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2013-01-03 US claimed
US-10639629-B2 Systems and methods for sample concentration and detection using a separation liquid 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-05-05 US disclosed
US-20200088615-A1 SYSTEMS AND METHODS FOR RAPID DETECTION OF AN ANALYTE OF INTEREST 3M INNOVATIVE PROPERTIES COMPANY 2020-03-19 US disclosed
EP-3551991-A1 SYSTEMS AND METHODS FOR RAPID DETECTION OF AN ANALYTE OF INTEREST 3M Innovative Properties Company (US) 2019-10-16 EP disclosed
EP-2826564-B1 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES CO (US) 2018-12-26 EP disclosed
WO-2018106488-A1 SYSTEMS AND METHODS FOR RAPID DETECTION OF AN ANALYTE OF INTEREST 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-06-14 WO disclosed
US-9909969-B2 Systems and methods for detecting an analyte of interest in a sample using microstructured surfaces 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-06 US disclosed
US-9880102-B2 Microwell array articles and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-30 US disclosed
US-20170363545-A1 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES CO (US) 2017-12-21 US disclosed
US-9759663-B2 Microwell array articles and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-12 US disclosed
EP-3083055-A1 SYSTEMS AND METHODS FOR SAMPLE CONCENTRATION AND DETECTION USING A SEPARATION LIQUID 3M Innovative Properties Company (US) 2016-10-26 EP disclosed
EP-2726842-B1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING MICROSTRUCTURED SURFACES 3M INNOVATIVE PROPERTIES CO (US) 2016-03-16 EP disclosed
US-20160025637-A1 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2016-01-28 US disclosed
EP-2826564-A1 Microwell array articles and methods of use 3M Innovative Properties Company of 3M Center (US) 2015-01-21 EP disclosed
EP-2726842-A1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING MICROSTRUCTURED SURFACES 3M Innovative Properties Company (US) 2014-05-07 EP disclosed
US-20140096598-A1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING MICROSTRUCTURED SURFACES 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-10 US disclosed
US-20130004967-A1 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2013-01-03 US disclosed
WO-2013003308-A1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING MICROSTRUCTURED SURFACES 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-03 WO disclosed
EP-2504103-A2 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M Innovative Properties Company (US) 2012-10-03 EP disclosed
WO-2011063332-A2 MICROWELL ARRAY ARTICLES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-26 WO 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-20130004967-A1 MICROWELL ARRAY ARTICLES AND METHODS OF USE CD68, ANXA2, ANXA5 ALDH1A1 1437/4885SMN1; SMN2 671/4885L3MBTL1 4215/4885

“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.