SCHEMBL1380801

SCHEMBL1380801

CC(C)(C)OC(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.55
KEAP1 Q14145 1/20 0.53
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL10982252 0.90 CYP4F2 (0.50) TDP1ALDH1A1KMT2AFFAR1
SCHEMBL10578604 0.89 HDAC1 (0.56) TDP1ALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL9196120 0.88 MAPT (0.56) TDP1KMT2AHDAC2HDAC8HDAC6
SCHEMBL27586622 0.86 MAPT (0.59) HDAC2HDAC8HDAC6MAPT
SCHEMBL7058420 0.86 TDP1 (0.50) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL9078410 0.85 ALDH1A1 (0.62) TDP1ALDH1A1L3MBTL1FFAR1TRPV1
SCHEMBL29200276 0.85 TDP1 (0.45) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL3590948 0.85 TDP1 (0.49) TDP1ALDH1A1KEAP1KMT2AL3MBTL1
SCHEMBL5947113 0.85 FFAR1 (0.66) FFAR1
SCHEMBL9077714 0.84 ALDH1A1 (0.50) TDP1ALDH1A1L3MBTL1HTTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283699-A Method for synthesizing fluoroalkyl substituted pyrrolidine 遵义医科大学 2023-06-23 CN claimed
CN-110590692-A 6H-1, 3-oxazoline-6-ketone compound and application thereof in drugs for treating attention deficit hyperactivity disorder 张振亭 2019-12-20 CN claimed
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP claimed
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN claimed
CN-104958247-B A kind of body lotion containing nostoc sphaeroids kutz extractive and preparation method thereof 湖南炎帝生物工程有限公司 2018-02-09 CN claimed
EP-2299813-B1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-12-16 EP claimed
US-8377955-B2 Branched 3- and 6-substituted quinolines as CGRP receptors antagonists Merck, Sharp & Dohme, Corp. (US) 2013-02-19 US claimed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP claimed
JP-4712384-B2 2011-06-29 JP claimed
US-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US claimed
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders BATTISTA KATHLEEN 2006-02-09 US claimed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
CN-1604900-A 6-aminomorphinane derivatives, method for production and use thereof ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-04-06 CN claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-07-22 US claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed

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

For each of this compound's patents that has machine-readable text (6 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-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders OPRL1, GPR4, ADRA1D TDP1 1396/4885ALDH1A1 196/4885KEAP1 1065/4885
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, ADRA1D, OPRD1 TDP1 1010/4885ALDH1A1 175/4885KEAP1 966/4885
US-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS GALR3, BDKRB2, CCKBR TDP1 2818/4885ALDH1A1 2896/4885KEAP1 694/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 TDP1 1182/4885ALDH1A1 1723/4885KEAP1 2845/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK TDP1 4513/4885ALDH1A1 2366/4885KEAP1 69/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 TDP1 3995/4885ALDH1A1 2559/4885KEAP1 311/4885

“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.