SCHEMBL676046

SCHEMBL676046

CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CRHBP P24387 2/20 0.71
CRHR2 Q13324 2/20 0.71
GAA P10253 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
CHRM1 P11229 1/20 0.65
PDE4A P27815 1/20 0.65
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA9 Q16790 1/20 0.64
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
CXCR1 P25024 3/20 0.53
CXCR2 P25025 3/20 0.53
TRPV1 Q8NER1 1/20 0.53
EPHX1 P07099 1/20 0.52
HDAC1 Q13547 6/20 0.52

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
SCHEMBL21620312 0.83 MAPT (0.79) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL6919015 0.83 HDAC6 (0.62) CHRM1PDE4AHDAC1HDAC3HDAC2
SCHEMBL4372856 0.82 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL27291251 0.82 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL675363 0.82 HDAC1 (0.74) MAPTSMN1; SMN2RAB9ANPSR1HDAC1
SCHEMBL3151838 0.82 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL14933783 0.82 HDAC1 (0.74) MAPTSMN1; SMN2RAB9ANPSR1HDAC1
SCHEMBL673758 0.81 HDAC1 (0.65) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL3156221 0.81 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL1821157 0.81 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US claimed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 US claimed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 US claimed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US claimed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP claimed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 WO claimed
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US disclosed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 US disclosed
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS BAIOCCHI ROBERT A (US) 2011-11-17 US disclosed
WO-2011143314-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS ARNO THERAPEUTICS, INC (US) 2011-11-17 WO disclosed
WO-2011103563-A1 METHODS AND COMPOSITIONS FOR INHIBITING AND PREVENTING THE GROWTH OF MALIGNANT MAST CELLS ARNO THERAPEUTICS, INC (US) 2011-08-25 WO disclosed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 US disclosed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 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 (3 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-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 MAPT 2759/4885CRHBP 464/4885CRHR2 3507/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 MAPT 3330/4885CRHBP 1164/4885CRHR2 2863/4885
US-20110281950-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS HDAC1, HDAC4, HDAC2 MAPT 2225/4885CRHBP 2195/4885CRHR2 2644/4885

“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.