SCHEMBL6099245

SCHEMBL6099245

[c]1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.58
NR4A2 P43354 2/20 0.55
MAOB P27338 4/20 0.54
HDAC4 P56524 1/20 0.53
NAAA Q02083 1/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 1/20 0.51
MAOA P21397 1/20 0.50
ERN1 O75460 1/20 0.50
SOD1 P00441 1/20 0.49
GSTP1 P09211 1/20 0.49
ALOX5 P09917 1/20 0.49
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL2137838 0.90 MRGPRX4 (0.69) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL379281 0.88 MAOB (0.67) MRGPRX4NR4A2MAOBCYP4F2CYP4A11
SCHEMBL16346074 0.85 GSTP1 (0.66) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL27707562 0.84 MRGPRX4 (0.52) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL7346174 0.82 MRGPRX4 (0.64) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL2265075 0.81 MAOB (0.58) NR4A2MAOBCYP4F2CYP4A11BCHE
SCHEMBL2570119 0.81 MAOB (0.65) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL30426715 0.81 MAOB (0.68) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL1956583 0.81 MRGPRX4 (0.58) MRGPRX4NR4A2MAOBHDAC4NAAA
SCHEMBL3786472 0.81 MAOB (0.68) MRGPRX4NR4A2MAOBHDAC4NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
CN-110194743-B Phenyl (3-methoxy-4- (4-methyl-1H-imidazole-1-yl) phenyl) ketone compound 云南大学 2022-11-11 CN disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 MRGPRX4 1051/4885NR4A2 4607/4885MAOB 109/4885
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MRGPRX4 4318/4885NR4A2 3028/4885MAOB 362/4885

“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.