SCHEMBL6906412

SCHEMBL6906412

COc1cccc2c1C(=O)c1ccccc1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 7/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 5/20 0.58
USP2 O75604 1/20 0.58
DUSP3 P51452 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAOA P21397 1/20 0.55
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
BCHE P06276 1/20 0.52
CES1 P23141 1/20 0.52
EGFR P00533 1/20 0.51
PIM1 P11309 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL1647356 0.88 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3286498 0.86 PTGS2 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11041862 0.85 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28384518 0.83 MAOA (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
Ethylene SCHEMBL7873619 0.83 PTGS2 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6770157 0.83 MAOA (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28137633 0.83 SMN1; SMN2 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6907008 0.81 TTR (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9155243 0.81 MAPT (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7164712 0.80 MAOA (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E

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
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed