SCHEMBL2964428

SCHEMBL2964428

Cc1ccc(B(O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 1.00
ORAI1 Q96D31 5/20 1.00
ORAI2 Q96SN7 5/20 1.00
ORAI3 Q9BRQ5 5/20 1.00
CA2 P00918 2/20 0.68
LPL P06858 1/20 0.68
LIPG Q9Y5X9 1/20 0.68
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
PCSK9 Q8NBP7 1/20 0.50
CA1 P00915 2/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12266144 0.89 TRPV6 (0.80) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL12271059 0.89 ORAI1 (0.80) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL12266162 0.83 ORAI1 (0.70) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL12270827 0.83 ORAI1 (0.70) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL12270441 0.82 TRPV6 (0.79) TRPV6ORAI1ORAI2ORAI3CA2
Tolyl Boronic Acid SCHEMBL5600068 0.81 CA2 (1.00) TRPV6ORAI1ORAI2ORAI3CA2
Tolyl Boronic Acid SCHEMBL129197 0.81 CA2 (1.00) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL5586183 0.80 ORAI1 (0.67) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL2399139 0.80 ORAI1 (0.64) TRPV6ORAI1ORAI2ORAI3CA2
SCHEMBL12266213 0.80 TRPV6 (0.64) TRPV6ORAI1ORAI2ORAI3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620905-A1 ELECTROLUMINESCENT BORON COMPLEXES NUKO 70 Limited (GB) 2006-02-01 EP claimed
WO-2004084325-A1 ELECTROLUMINESCENT BORON COMPLEXES NUKO 70 LIMITED (GB) 2004-09-30 WO claimed
EP-1140947-B1 METHOD FOR PRODUCING MONO-ORGANOBORANES OR DI-ORGANOBORANES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP claimed
US-20260050210-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2026-02-19 US disclosed
WO-2024122460-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING SAME 株式会社日本触媒 2024-06-13 WO disclosed
US-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 US disclosed
US-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 US disclosed
EP-3328868-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS The University of Manchester (GB) 2018-06-06 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-20020161230-A1 Process for preparing boronic and borinic acids CLARIANT GMBH 2002-10-31 US disclosed
EP-1236730-A2 Process for preparing boronic and borinic acids Clariant GmbH (DE) 2002-09-04 EP disclosed
US-6417302-B1 REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2002-07-09 US disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 WO disclosed
EP-1003753-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM Basell Polyolefine GmbH (DE) 2000-05-31 EP disclosed
WO-1999006414-A1 COMPOUNDS CONTAINING BORON AND ALUMINIUM TARGOR GMBH (DE) 1999-02-11 WO disclosed
US-4713346-A Formation of analyzable boron containing adducts THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1987-12-15 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-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors NLRP3, IL1B, NOD1 TRPV6 675/4885ORAI1 736/4885ORAI2 1793/4885
US-20020161230-A1 Process for preparing boronic and borinic acids BZW1, CYP2W1, BZW2 TRPV6 1935/4885ORAI1 2892/4885ORAI2 822/4885
US-20260050210-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING SAME MAL2, MCM6, MCM3 TRPV6 2089/4885ORAI1 505/4885ORAI2 712/4885
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, IL1B, NOD1 TRPV6 675/4885ORAI1 736/4885ORAI2 1793/4885

“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.