SCHEMBL404584

SCHEMBL404584

c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.66
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ADORA2A P29274 3/20 0.60
ADORA1 P30542 3/20 0.60
PKM P14618 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
PTPRC P08575 1/20 0.59
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
POLB P06746 2/20 0.58
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ABCG2 Q9UNQ0 1/20 0.54

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
SCHEMBL30009937 1.00 PTGS2 (0.66) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2692579 0.93 CA12 (0.59) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29629010 0.89 PTGS2 (0.58) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17876319 0.85 PTPRC (0.53) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22162812 0.84 CA12 (0.58) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25440225 0.83 RAB9A (0.65) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30662425 0.83 PTGS2 (0.57) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9903729 0.82 LMNA (0.59) PTGS2SMN1; SMN2MAPTKDM4ELMNA
Biphenyl SCHEMBL27625903 0.82 ADORA1 (0.55) PTGS2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17876110 0.82 PTPRC (0.50) PTGS2NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104628910-B Catalyst for producing polypropylene with high isotacticity and preparation method thereof 中国石油天然气股份有限公司 2017-02-08 CN claimed
CN-104628910-A Catalyst for producing polypropylene with high isotacticity and preparation method thereof PETROCHINA CO LTD 2015-05-20 CN claimed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER MINERVA BIOTECHNOLOGIES CORPORATION (US) 2022-06-30 US disclosed
US-11202775-B2 Methods for treatment of cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2021-12-21 US disclosed
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI INTERVET INC. (US) 2021-09-23 US disclosed
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 US disclosed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
EP-3122707-B1 METHOD FOR COUPLING A FIRST AROMATIC COMPOUND TO A SECOND AROMATIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-25 EP disclosed
WO-2004113335-A2 PYRIDINO[1,2-A]PYRIMIDIN-4-ONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-29 WO disclosed
WO-2004111058-A1 HETERORYL-FUSED PYRIMIDINYL COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-23 WO disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US 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 (10 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF PTGS2 3798/4885NPC1 4125/4885RAB9A 1662/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF PTGS2 3583/4885NPC1 4460/4885RAB9A 1810/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 PTGS2 1947/4885NPC1 1651/4885RAB9A 833/4885
US-20210292284-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF INFECTION WITH MANNHEIMIA HAEMOLYTICA OR HISTOPHILUS SOMNI SORD, HEXD, SDHA PTGS2 889/4885NPC1 2819/4885RAB9A 2100/4885
US-11202775-B2 Methods for treatment of cancer TP53, TOP2B, BRCA1 PTGS2 2087/4885NPC1 445/4885RAB9A 3686/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 PTGS2 1649/4885NPC1 666/4885RAB9A 778/4885
US-20220202786-A1 METHODS FOR TREATMENT OF CANCER TP53, TOP2B, BRCA1 PTGS2 2087/4885NPC1 445/4885RAB9A 3686/4885
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 PTGS2 2705/4885NPC1 1109/4885RAB9A 881/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 PTGS2 1439/4885NPC1 276/4885RAB9A 2082/4885
US-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD PTGS2 1409/4885NPC1 394/4885RAB9A 2231/4885

“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.