SCHEMBL26512643

SCHEMBL26512643

COc1ccc(C2(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
ACACA Q13085 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MCL1 Q07820 1/20 0.33
LTB4R Q15722 2/20 0.32
BRD4 O60885 1/20 0.32
PDK2 Q15119 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL26512645 0.94 KDM4E (0.32) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26512629 0.94 BRD4 (0.39) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26512634 0.94 BRD4 (0.39) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26513010 0.94 ACACA (0.39) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26512631 0.91 KDM4E (0.34) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26512625 0.91 MAPT (0.34) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL26512899 0.90 KDM4E (0.36) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL1189076 0.89 PDK2 (0.33) KDM4EMAPTALDH1A1HPGDACACA
SCHEMBL1007779 0.89 PDK2 (0.33) KDM4EMAPTALDH1A1HPGDACACA
SCHEMBL29453311 0.89 MEN1 (0.32) KDM4EMAPTALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed