SCHEMBL1180653

SCHEMBL1180653

O=C(O)n1c2ccccc2c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.53
P2RX4 Q99571 1/20 0.53
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FABP4 P15090 3/20 0.50
FABP5 Q01469 3/20 0.50
FABP3 P05413 1/20 0.50
RAD52 P43351 1/20 0.47
TFPI2 P48307 1/20 0.46
AGTR1 P30556 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
SCHEMBL30344008 1.00 POLB (0.64) POLBKDM4EALDH1A1P2RX4ATM
SCHEMBL2424796 0.89 P2RX4 (0.69) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL29547258 0.83 MAOA (0.53) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL20581865 0.83 MAOA (0.53) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL28328560 0.83 LMNA (0.56) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL783425 0.83 TSPO (0.52) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL20696079 0.83 POLB (0.47) POLBKDM4EALDH1A1P2RX4ATM
SCHEMBL20699878 0.83 POLB (0.47) POLBKDM4EALDH1A1P2RX4ATM
SCHEMBL1120303 0.83 POLB (0.47) POLBKDM4EALDH1A1P2RX4LMNA
SCHEMBL872109 0.79 P2RX4 (0.81) POLBALDH1A1P2RX4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245599-B Novel 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC 2014-05-14 CN claimed
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same 7 HILLS PHARMA INC. 2024-10-08 US disclosed
US-20240199765-A1 METHOD OF PULPING COTTON-BASED RAW MATERIAL CHEMIEFASER LENZING AG (AT) 2024-06-20 US disclosed
US-11939405-B2 Method of pulping cotton-based raw material LENZING AG (AT) 2024-03-26 US disclosed
EP-3559341-B1 METHOD OF PULPING COTTON-BASED RAW MATERIAL CHEMIEFASER LENZING AG (AT) 2024-02-28 EP disclosed
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 US disclosed
US-20210130501-A1 METHOD OF PULPING COTTON-BASED RAW MATERIAL LENZING AG (AT) 2021-05-06 US disclosed
EP-3559341-A1 METHOD OF PULPING COTTON-BASED RAW MATERIAL Lenzing Aktiengesellschaft (AT) 2019-10-30 EP disclosed
CN-110088393-A By the method for cotton based raw material slurrying 连津格股份公司 2019-08-02 CN disclosed
WO-2018115428-A1 METHOD OF PULPING COTTON-BASED RAW MATERIAL LENZING AKTIENGESELLSCHAFT (AT) 2018-06-28 WO disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US disclosed
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
CN-1263092-A Carboxylic compound and its preparation method and application LANZHOU CHEM PHYS INST (CN) 2000-08-16 CN disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
CN-1178524-A Di-substituted 1, 4 -piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA (IT) 1998-04-08 CN disclosed
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO 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 (4 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 POLB 3911/4885KDM4E 1595/4885ALDH1A1 398/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO POLB 4090/4885KDM4E 4258/4885ALDH1A1 3189/4885
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 POLB 2424/4885KDM4E 4827/4885ALDH1A1 3112/4885
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same ICOS, CD47, CD274 POLB 3911/4885KDM4E 1595/4885ALDH1A1 398/4885

“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.