SCHEMBL12328355

SCHEMBL12328355

COc1cc2[nH]c3c4[nH]c5cc(OC)c(OC)cc5c4c4c5cc(OC)c(OC)cc5[nH]c4c3c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ AURKA O14965 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ GAA P10253 2/20 0.47
▸ RET P07949 1/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ GABRA1 P14867 3/20 0.44
▸ GABRA5 P31644 3/20 0.44
▸ GABRA3 P34903 3/20 0.44

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
SCHEMBL12328354 0.96 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL5879177 0.84 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8666953 0.79 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7983948 0.78 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL31195781 0.78 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8821059 0.78 MAPT (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9372517 0.74 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL26608029 0.71 RET (0.60) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7969747 0.71 CYP19A1 (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL20581333 0.70 AURKA (0.51) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703500-B2 Optoelectrical vapor sensing UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-04-22 — — US disclosed
US-20130183766-A1 OPTOELECTRICAL VAPOR SENSING UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-07-18 — — US disclosed
WO-2011119752-A2 OPTOELECTRICAL VAPOR SENSING UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-09-29 — — WO disclosed
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