SCHEMBL4597301

SCHEMBL4597301

COc1cc2c(c(-c3cccc(F)c3F)c1)OC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 6/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 2/20 0.35
HTR1A P08908 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL4596755 0.90 MAPT (0.41) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL4597300 0.86 KDM4E (0.37) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL4226451 0.83 PRKAB2 (0.50) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL4226803 0.82 PRKAB2 (0.42) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL4596590 0.82 HTR1A (0.38) BRD4CREBBPPARP1HTR1A
SCHEMBL4226797 0.82 AQP1 (0.52) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL4596510 0.81 PARP1 (0.47) BRD4CREBBPPARP1HTR1A
SCHEMBL4596623 0.81 MAPK14 (0.40) KDM4EALDH1A1HSD17B10TSHRPARP1
SCHEMBL4713098 0.81 PARP1 (0.39) KDM4EALDH1A1HSD17B10TSHRPARP1
SCHEMBL4597019 0.81 LMNA (0.38) KDM4EALDH1A1HSD17B10TSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed