SCHEMBL974834

SCHEMBL974834

COC(=O)c1cc(OC)ccc1-c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 6/20 0.51
NPC1 O15118 3/20 0.50
MAOB P27338 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TNFRSF1A P19438 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NR4A2 P43354 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL976321 0.86 MEN1 (0.48) KDM4EMAPTNPC1MAOBMEN1
SCHEMBL1610957 0.85 KMT2A (0.55) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL20235825 0.84 NR4A2 (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12922048 0.84 CYP46A1 (0.57) KDM4EMAPTNPC1MAOBMEN1
SCHEMBL20850165 0.84 MAPT (0.53) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL12320666 0.83 KMT2A (0.53) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL19603559 0.83 MAPT (0.55) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL22345013 0.81 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30009450 0.81 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18952913 0.81 KMT2A (0.54) KDM4EMAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024067923-A1 CHEMICAL COMPOSITION, OPTOELECTRONIC COMPONENT COMPRISING AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE, AND USE OF AT LEAST ONE CHEMICAL COMPOSITION OF THIS TYPE IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2024-04-04 WO disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 KDM4E 165/4885CYP1A2 1295/4885CYP2D6 724/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 KDM4E 165/4885CYP1A2 1295/4885CYP2D6 724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.