SCHEMBL2573994

SCHEMBL2573994

COc1ccc(OCc2ccccc2)c(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.57
HDAC8 Q9BY41 1/20 0.55
MAOB P27338 2/20 0.54
ERN1 O75460 3/20 0.52
ABCB1 P08183 2/20 0.50
RAB9A P51151 2/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL21347524 0.91 TUBB1 (0.59) TUBB1HDAC8ERN1ABCB1RAB9A
SCHEMBL3615463 0.89 MAOB (0.58) TUBB1MAOBERN1RAB9ACCNB2
SCHEMBL1639398 0.89 TUBB1 (0.49) TUBB1HDAC8MAOBERN1RAB9A
SCHEMBL1311076 0.88 HDAC8 (0.65) HDAC8MAOBERN1ABCB1RAB9A
SCHEMBL6035502 0.88 TUBB1 (0.72) TUBB1MAOBERN1RAB9ANPC1
SCHEMBL4030463 0.87 TUBB1 (0.53) TUBB1HDAC8MAOBERN1RAB9A
SCHEMBL3971633 0.87 HDAC8 (0.54) TUBB1HDAC8MAOBERN1ABCB1
SCHEMBL4032216 0.87 TUBB1 (0.52) TUBB1MAOBERN1RAB9ACCNB2
SCHEMBL9077437 0.87 CYP11B1 (0.54) TUBB1ERN1RAB9AMTNR1AMTNR1B
SCHEMBL7147744 0.87 TUBB1 (0.66) TUBB1HDAC8MAOBRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
CN-112424160-B Novel P62 ligand compound and composition for preventing, improving or treating protein conformational diseases comprising the same 奧土择破利悟株式会社 2024-03-08 CN disclosed
CN-112424160-A Novel P62 ligand compound and composition for preventing, ameliorating or treating protein conformational diseases comprising the same 普罗泰克株式会社 2021-02-26 CN disclosed
WO-2020201305-A1 4-(2,4-BIS(2-HYDROXYPHENYL)-1H-IMIDAZOL-1-YL)BENZOIC ACID DERIVATIVES AS NOVEL IRON CHELATORS VIFOR (INTERNATIONAL) AG (CH) 2020-10-08 WO disclosed
WO-2020138398-A1 NOVEL COMPOUND INHIBITING LYSINE-SPECIFIC DEMETHYLATING ENZYME 1, METHOD FOR PRODUCING SAME, AND USE OF SAME 国立研究開発法人理化学研究所 2020-07-02 WO disclosed
WO-2020022784-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING PROTEINOPATHIES COMPRISING SAME 주식회사 프로텍바이오 2020-01-30 WO disclosed
CN-101360731-B Isotopically-labeled benzofuran compounds as imaging agents for amyloidogenic proteins UNIV PITTSBURGH 2013-01-30 CN disclosed
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed
EP-0278686-A1 Pyridopyrimidines methods for their preparation and pharmaceutical formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1988-08-17 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 (1 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-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 TUBB1 2357/4885HDAC8 3372/4885MAOB 284/4885

“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.