SCHEMBL5352485

SCHEMBL5352485

[O-][n+]1cccc2ccc3ccc[n+]([O-])c3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
THRB P10828 2/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
CYP2A6 P11509 2/20 0.36
HPRT1 P00492 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
SCHEMBL6684284 0.87 ALDH1A1 (0.50) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL7896705 0.84 HTT (0.39) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL34468885 0.79 MAPT (0.43) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL2133978 0.79 CYP2A6 (0.43) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL21530568 0.79 MAPT (0.38) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL100824 0.79 MAPT (0.43) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL4136722 0.79 CYP3A4 (0.43) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL3137043 0.79 CYP2A6 (0.43) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL10748285 0.79 ALDH1A1 (0.41) MAPTHTTHSP90AA1KDM4ETDP1
SCHEMBL14236947 0.77 ALDH1A1 (0.39) MAPTHTTHSP90AA1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 US disclosed
EP-2927283-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME Toray Industries, Inc. (JP) 2015-10-07 EP disclosed
US-20130310547-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. 2013-11-21 US disclosed
EP-2644606-A1 RARE EARTH METAL COMPLEX Hitachi Chemical Co., Ltd. (JP) 2013-10-02 EP disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
US-20130090460-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-04-11 US disclosed
EP-2554533-A1 RARE-EARTH METAL COMPLEX Hitachi Chemical Company, Ltd. (JP) 2013-02-06 EP disclosed
US-7396488-B2 Light emitting device and fluorescent material MITSUBISHI CHEMICAL CORPORATION (JP) 2008-07-08 US disclosed
US-7282160-B2 Light emitting device and fluorescent material MITSUBISHI CHEMICAL CORPORATION (JP) 2007-10-16 US disclosed
US-7282586-B1 Dipyridine-based compound and the use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2007-10-16 US disclosed
US-20070132366-A1 Light emitting device and lighting device using it, image display unit MITSUBISHI CHEMICAL CORPORATION (JP) 2007-06-14 US disclosed
US-20070132366-A1 Light emitting device and lighting device using it, image display unit MITSUBISHI CHEMICAL CORPORATION (JP) 2007-06-14 US disclosed
US-20070085057-A1 LIGHT EMITTING DEVICE AND FLUORESCENT MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
EP-0124160-B1 A PROCESS FOR THE PREPARATION OF CARBOXYLIC ACIDS AND/OR ESTERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-09-17 EP disclosed
EP-0124160-A1 A process for the preparation of carboxylic acids and/or esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-11-07 EP 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-20130310547-A1 RARE EARTH METAL COMPLEX KCNK17, KCNMA1, KCNT1 MAPT 987/4885HTT 3313/4885HSP90AA1 1774/4885
US-20130090460-A1 RARE EARTH METAL COMPLEX AP1M1, KCNMA1, DDRGK1 MAPT 2660/4885HTT 4406/4885HSP90AA1 1850/4885

“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.