SCHEMBL281995

SCHEMBL281995

COc1cc(NC(=O)N(CCC2CCCCC2)c2ccc(N(C)C)cc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MMP3 P08254 1/20 0.37
ACHE P22303 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PPARA Q07869 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
Hydrochloric Acid SCHEMBL6245752 0.99 NPC1 (0.39) NPC1RAB9AMMP3ACHECA1
SCHEMBL8799426 0.92 ACHE (0.42) NPC1RAB9AMMP3ACHECA1
SCHEMBL3740322 0.91 RAB9A (0.38) NPC1RAB9AMMP3ACHECA1
SCHEMBL8798797 0.87 NPC1 (0.36) NPC1RAB9AMMP3ACHEPPARA
SCHEMBL8797853 0.84 CA1 (0.39) NPC1RAB9ACA1CA2ALDH1A1
SCHEMBL8799725 0.76 ACHE (0.37) NPC1RAB9AACHEPPARATDP1
Hydrochloric Acid SCHEMBL8797755 0.75 CA1 (0.37) NPC1RAB9ACA1CA2ALDH1A1
SCHEMBL8799596 0.74 VCAM1 (0.39) NPC1RAB9ACA1CA2PPARA
SCHEMBL8706854 0.73 USP2 (0.46) PPARAALDH1A1LMNAPPARGPPARD
SCHEMBL8800137 0.72 MCHR1 (0.39) NPC1RAB9AMMP3ACHECA1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP claimed
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases METABASIS THERAPEUTICS, INC. (US) 2021-02-23 US disclosed
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-10130643-B2 Thyromimetics for the treatment of fatty liver diseases METABASIS THERAPEUTICS, INC. (US) 2018-11-20 US disclosed
US-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases METABASIS THERAPEUTICS, INC. (US) 2017-04-27 US disclosed
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use METABASIS THERAPEUTICS, INC. (US) 2012-02-23 US disclosed
WO-2011038207-A1 PHOSPHORUS-CONTAINING THYROID HORMONE RECEPTOR AGONISTS AND METHODS OF USE METABASIS THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
WO-2010093601-A1 NOVEL SULFONIC ACID-CONTAINING THYROMIMETICS, AND METHODS FOR THEIR USE METABASIS THERAPEUTICS, INC. (US) 2010-08-19 WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 US disclosed
US-20050192245-A1 Medicinal composition for treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 2005-09-01 US disclosed
EP-1555032-A1 MEDICINAL COMPOSITION FOR TREATING ARTERIOSCLEROSIS Sankyo Company, Limited (JP) 2005-07-20 EP disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed
US-20050119314-A1 Pharmaceutical composition comprising an ACAT inhibitor and an insulin resistance reducing agent SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
EP-1493448-A1 MEDICINAL COMPOSITION COMPRISING ACAT INHIBITOR AND INSULINE RESISTANCE IMPROVING AGENT Sankyo Company, Limited (JP) 2005-01-05 EP disclosed
US-20040198788-A1 Medicinal compositions containing angiotensin II receptor antagonist SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
EP-1421953-A1 MEDICINAL COMPOSITIONS CONTAINING ANGIOTENSIN II RECEPTOR ANTAGONIST Sankyo Company, Limited (JP) 2004-05-26 EP disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP 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 (8 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-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases TSHR, THRA, FABP1 NPC1 693/4885RAB9A 3593/4885MMP3 1139/4885
US-10925885-B2 Thyromimetics for the treatment of fatty liver diseases TSHR, THRA, FABP1 NPC1 693/4885RAB9A 3593/4885MMP3 1139/4885
US-20120046364-A1 Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use THRB, TSHR, THRA NPC1 1545/4885RAB9A 3144/4885MMP3 3110/4885
US-20040198788-A1 Medicinal compositions containing angiotensin II receptor antagonist AGTR2, AGTR1, AGT NPC1 543/4885RAB9A 3792/4885MMP3 820/4885
US-20190083515-A1 THYROMIMETICS FOR THE TREATMENT OF FATTY LIVER DISEASES TSHR, THRA, FABP1 NPC1 699/4885RAB9A 3581/4885MMP3 1107/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 NPC1 845/4885RAB9A 3397/4885MMP3 1194/4885
US-10130643-B2 Thyromimetics for the treatment of fatty liver diseases TSHR, THRA, FABP1 NPC1 693/4885RAB9A 3593/4885MMP3 1139/4885
US-20050119314-A1 Pharmaceutical composition comprising an ACAT inhibitor and an insulin resistance reducing agent ACAT2, ACAT1, ACACA NPC1 102/4885RAB9A 3692/4885MMP3 1139/4885

“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.