SCHEMBL624916

SCHEMBL624916

OB(OOc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.44
ORAI1 Q96D31 3/20 0.44
ORAI2 Q96SN7 3/20 0.44
ORAI3 Q9BRQ5 3/20 0.44
CA4 P22748 2/20 0.44
ENPP2 Q13822 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
PCSK9 Q8NBP7 2/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
LTA4H P09960 3/20 0.36
TSHR P16473 2/20 0.36
MGLL Q99685 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TRPM2 O94759 1/20 0.33

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
SCHEMBL4556708 0.82 PPARG (0.40) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL13857958 0.81 TRPV6 (0.35) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL1276215 0.78 CA1 (0.43) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL29140215 0.78 CA1 (0.43) TRPV6ORAI1ORAI2ORAI3CA4
Boric Acid SCHEMBL10871300 0.76 CA1 (0.41) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL1408264 0.76 CA1 (0.41) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL2475622 0.76 ORAI1 (0.48) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL28718291 0.75 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL262207 0.74 ENPP2 (0.46) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL29192896 0.74 ORAI1 (0.38) TRPV6ORAI1ORAI2ORAI3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425510-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.P.A. (IT) 2024-12-26 US claimed
CN-118878402-A Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage 大连理工大学 2024-11-01 CN claimed
EP-4416149-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.p.A. (IT) 2024-08-21 EP claimed
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN claimed
WO-2023062504-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.P.A. (IT) 2023-04-20 WO claimed
US-20240425510-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.P.A. (IT) 2024-12-26 US disclosed
CN-118878402-A Preparation method of trifluoromethyl ketone compound based on palladium catalysis of C-N bond cleavage 大连理工大学 2024-11-01 CN disclosed
EP-4416149-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.p.A. (IT) 2024-08-21 EP disclosed
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN disclosed
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 US disclosed
WO-2023062504-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB OLON S.P.A. (IT) 2023-04-20 WO disclosed
WO-2021236681-A2 POTENT TETRAHYDROQUINOLONE ELIMINATES APICOMPLEXAN PARASITES THE UNIVERSITY OF CHICAGO (US) 2021-11-25 WO disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 WO disclosed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 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 (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-20240425510-A1 PROCESS FOR THE PREPARATION OF ZANUBRUTINIB BCL6B, BCL6, BCL9 TRPV6 4817/4885ORAI1 4294/4885ORAI2 3537/4885
US-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 TRPV6 1188/4885ORAI1 2731/4885ORAI2 3322/4885
US-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 TRPV6 1202/4885ORAI1 951/4885ORAI2 1216/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC TRPV6 119/4885ORAI1 788/4885ORAI2 227/4885

“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.