SCHEMBL946095

SCHEMBL946095

O=C(c1ccccc1)n1cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
P2RX4 Q99571 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL1892160 0.98 TSHR (0.47) TSHRRAB9AL3MBTL1HPGDCES2
Methyl Alcohol SCHEMBL27278041 0.95 TSHR (0.46) TSHRRAB9AL3MBTL1HPGDCES2
SCHEMBL27386714 0.89 L3MBTL1 (0.42) TSHRRAB9AL3MBTL1HPGDCES2
SCHEMBL3895806 0.86 TSHR (0.55) TSHRRAB9ACES2CES1DAO
SCHEMBL27639057 0.81 UNG (0.50) TSHRL3MBTL1HPGDDAONAPRT
SCHEMBL31068112 0.79 HPGD (0.52) L3MBTL1HPGDCES2CES1GSK3B
SCHEMBL6323112 0.79 LMNA (0.52) TSHRRAB9AHPGDALDH1A1P2RX4
SCHEMBL3172447 0.76 TSHR (0.50) TSHRRAB9AL3MBTL1HPGDCES2
SCHEMBL11277690 0.75 ALDH1A1 (0.61) L3MBTL1HPGDNAPRTALDH1A1MAPT
SCHEMBL12604282 0.75 HPGD (0.48) TSHRHPGDCES2CES1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080693-A Quinoline compound of trifluoromethyl alkyl, synthetic method and antitumor application thereof 遵义医科大学 2024-12-06 CN claimed
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 CN claimed
CN-109071548-A It can be used for treating the pyrroles's benzimidazole derivative or its analog of especially cancer 埃姆库瑞医药品有限公司 2018-12-21 CN claimed
CN-108033964-A A kind of Pyridinylimidazoles and benzodiazepine propionate compound and its synthesis and application 杭州奥默医药股份有限公司 2018-05-15 CN claimed
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 CN claimed
CN-105039499-A Preparation and application of fluorescence probe for detecting [gamma]-glutamyltransferase (GGT) in cancer cells UNIV EAST CHINA SCIENCE & TECH 2015-11-11 CN claimed
CN-103254109-B Benzoyl pyrrole derivative and synthetic method thereof UNIV SHANXI 2015-01-28 CN claimed
CN-102584668-B Method for preparing 2,3-dibromo-5-benzoyl pyrrole SYNCHEM BENGBU TECHNOLOLY CO LTD 2014-06-18 CN claimed
CN-103254109-A Benzoyl pyrrole derivative and synthetic method thereof UNIV SHANXI 2013-08-21 CN claimed
CN-102584668-A Method for preparing 2,3-dibromo-5-benzoyl pyrrole SYNCHEM BENGBU TECHNOLOLY CO LTD 2012-07-18 CN claimed
CN-101535324-A Organic iridium compositions and their use in electronic devices GEN ELECTRIC (US) 2009-09-16 CN claimed
EP-2049555-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-04-22 EP claimed
CN-101134740-A Method for synthesizing ketorolac ammonia butanetriol key intermediate compound benzoyl pyrrole ZHEJIANG INDUSTRY UNIVERSITY Z (CN) 2008-03-05 CN claimed
EP-1529034-B1 BENZOYLPYRAZOLONES SUBSTITUTED BY 3-AMINOCARBONYL BAYER CROPSCIENCE AG (DE) 2008-02-20 EP claimed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US claimed
WO-2008014037-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2008-01-31 WO claimed
US-20050267184-A1 3-Aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE GMBH (DE) 2005-12-01 US claimed
US-20040072693-A1 3-aminocarbonyl substituted benzoylpyrazolones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-15 US claimed
CN-1337850-A Amide derivatives for antiangiogenesis and/or antitumor UNIV VANDERBILT (US) 2002-02-27 CN claimed
CN-1295462-A Peroral active agent suspension BOEHRINGER INGEHEIM PHARMA KG (DE) 2001-05-16 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 (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-20040072693-A1 3-aminocarbonyl substituted benzoylpyrazolones CBR3, MT-CO3, CBR1 TSHR 2038/4885RAB9A 2165/4885L3MBTL1 1048/4885
US-20050267184-A1 3-Aminocarbonyl substituted benzoylpyrazolones CBR3, CYCS, MT-CO2 TSHR 1489/4885RAB9A 2894/4885L3MBTL1 1004/4885

“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.