SCHEMBL3495930

SCHEMBL3495930

O=C(O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC1 Q13547 1/20 0.63
KMO O15229 1/20 0.59
HAO1 Q9UJM8 1/20 0.59
ACMSD Q8TDX5 2/20 0.55
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
SRD5A2 P31213 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
DEGS1 O15121 1/20 0.51

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
SCHEMBL354930 0.98 KMO (0.62) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL22291720 0.98 KMO (0.62) HDAC8HDAC6HDAC1KMOHAO1
Bicarbonate SCHEMBL7018415 0.96 KMO (0.61) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL13266972 0.96 HDAC8 (0.58) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL24087489 0.94 HDAC8 (0.56) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL901209 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL2321634 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL901207 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL21656947 0.89 PARP10 (0.53) HDAC8HDAC6HDAC1KMOHAO1
Naphthalene SCHEMBL28155038 0.89 KMO (0.58) HDAC8HDAC6HDAC1KMOHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652243-A Peroxisome proliferator-activated receptor (PPARs) agonist, preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-09-17 CN disclosed
CN-117136187-A Novel anti-hepatitis B compound 上海齐鲁制药研究中心有限公司 2023-11-28 CN disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
WO-2022268154-A1 NEW ANTI-HEPATITIS B COMPOUND 上海齐鲁制药研究中心有限公司 2022-12-29 WO disclosed
CN-109628107-A One kind having high optically anisotropic liquid-crystal compounds and its application 晶美晟光电材料(南京)有限公司 2019-04-16 CN disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-1804793-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-07-11 EP disclosed
US-7199142-B2 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. (US) 2007-04-03 US disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
WO-2006047195-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. 2005-11-03 US disclosed
EP-1549640-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2003105771-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
CN-1168365-A Cyclopentyl derivatives ROLIC AG (CH) 1997-12-24 CN disclosed
EP-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 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 (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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HDAC8 186/4885HDAC6 1179/4885HDAC1 346/4885
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HDAC8 149/4885HDAC6 424/4885HDAC1 141/4885
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists EDNRA, OXGR1, EDNRB HDAC8 3042/4885HDAC6 2360/4885HDAC1 1690/4885

“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.