SCHEMBL26512898

SCHEMBL26512898

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(OC)cc2)(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
NTSR1 P30989 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACACA Q13085 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL26512895 0.94 BRD4 (0.37) BRD4NTSR1MAOAMAOBKDM4E
SCHEMBL26512892 0.94 BRD4 (0.37) BRD4NTSR1MAOAMAOBKDM4E
SCHEMBL26512788 0.94 ACACA (0.35) BRD4KDM4EALDH1A1MAPTKMT2A
SCHEMBL26512902 0.93 KDM4E (0.31) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL26512886 0.92 NTSR1 (0.33) BRD4NTSR1MAOAMAOBKDM4E
SCHEMBL26512888 0.90 NTSR1 (0.33) NTSR1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL26512894 0.90 KDM4E (0.32) BRD4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL26512636 0.90 BRD4 (0.34) BRD4MAOAMAOBKDM4ESMN1; SMN2
SCHEMBL26512899 0.90 KDM4E (0.36) BRD4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL26512933 0.88 WHR1 (0.33) NTSR1KDM4EALDH1A1MEN1KMT2A

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