SCHEMBL321832

SCHEMBL321832

COc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.62
ABCB1 P08183 2/20 0.62
BCR P11274 2/20 0.62
NR1H4 Q96RI1 1/20 0.58
HDAC4 P56524 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
BACE1 P56817 1/20 0.50
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
PTPN1 P18031 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL12715050 0.86 ABL1 (0.79) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL11096260 0.84 ABL1 (0.76) ABL1ABCB1BCRHDAC4HDAC2
Acrylic Acid SCHEMBL28215854 0.83 PPARG (0.49) ABL1ABCB1BCRNR1H4HDAC4
SCHEMBL3633054 0.83 CA12 (0.61) HDAC8BACE1CA12CA1CA2
SCHEMBL10304847 0.83 ABL1 (0.53) ABL1ABCB1BCRNR1H4HDAC4
SCHEMBL29551674 0.83 CA12 (0.61) HDAC8BACE1CA12CA1CA2
SCHEMBL19440078 0.83 CYP11B2 (0.62) ABL1ABCB1BCRNR1H4BACE1
SCHEMBL11819228 0.82 ABL1 (0.73) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL13241127 0.82 ABL1 (0.52) ABL1ABCB1BCRNR1H4HDAC4
SCHEMBL8720361 0.81 ABL1 (0.47) ABL1ABCB1BCRNR1H4HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732552-A Preparation method of 2-bit or 3-bit thiobenzofuran compound 天津师范大学 2016-07-06 CN claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-3315486-B1 METHOD FOR PRODUCING AROMATIC COMPOUND TOSOH CORP (JP) 2023-06-07 EP disclosed
CN-108017479-B Method for producing aromatic compound 东曹株式会社 2022-07-29 CN disclosed
US-10246393-B2 Method for producing aromatic compound TOSOH CORPORATION (JP) 2019-04-02 US disclosed
US-20180118646-A1 METHOD FOR PRODUCING AROMATIC COMPOUND TOSOH CORPORATION (JP) 2018-05-03 US disclosed
US-20180118646-A1 METHOD FOR PRODUCING AROMATIC COMPOUND TOSOH CORPORATION (JP) 2018-05-03 US disclosed
WO-2017193288-A1 SYNTHESIS OF PHOSPHINE LIGANDS BEARING TUNABLE LINKAGE: METHODS OF THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY SHENZHEN RESEARCH INSTITUTE (CN) 2017-11-16 WO disclosed
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
US-20020137974-A1 Catalysis using phosphine oxide and sulfoxide compounds DUPONT POLYMERS, INC. 2002-09-26 US disclosed
EP-1235764-A1 CATALYSIS USING PHOSPHINE OXIDE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-04 EP disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
WO-2002000574-A2 CATALYSIS USING PHOSPHINE OXIDE AND SULFOXIDE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-03 WO disclosed
US-6291722-B1 CONTACTING GRIGNARD REAGENT OF FORMULA R.SUP.7--MGX WITH AN ARYL COMPOUND OF THE FORMULA R.SUP.1--X IN THE PRESENCE OF A CATALYTIC AMOUNT OF COORDINATION COMPRISING TRASITION METAL COMPLEXED TO PHOSPHINE OXIDE TO PREPARE BISARYL COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY 2001-09-18 US disclosed
WO-2001040147-A1 CATALYSIS USING PHOSPHINE OXIDE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-06-07 WO disclosed
CN-1024011-C Process for producing cephalosporin compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-03-16 CN 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 (5 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-20020137974-A1 Catalysis using phosphine oxide and sulfoxide compounds TST, GSS, ARSA ABL1 31/4885ABCB1 3672/4885BCR 953/4885
US-20180118646-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAO2, PAH, TYR ABL1 22/4885ABCB1 879/4885BCR 30/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ABL1 2396/4885ABCB1 236/4885BCR 2239/4885
US-10246393-B2 Method for producing aromatic compound HAO2, PAH, TYR ABL1 22/4885ABCB1 879/4885BCR 30/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ABL1 1004/4885ABCB1 313/4885BCR 2306/4885

“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.