SCHEMBL417710

SCHEMBL417710

CC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.55
LIPG Q9Y5X9 12/20 0.55
HIF1A Q16665 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
F11 P03951 2/20 0.45
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ESR2 Q92731 1/20 0.41

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
SCHEMBL12524043 0.94 LIPG (0.65) LPLLIPGHIF1ACA1CA2
SCHEMBL19213278 0.89 P4HB (0.50) LPLLIPGHIF1ACA1CA2
SCHEMBL15583748 0.89 LPL (0.47) LPLLIPGHIF1ACA1CA2
SCHEMBL14934699 0.89 LPL (0.47) LPLLIPGHIF1ACA1CA2
SCHEMBL19834910 0.89 LPL (0.57) LPLLIPGCA1CA2CA9
SCHEMBL15165484 0.88 LPL (0.55) LPLLIPGCA1CA2CA9
SCHEMBL12938319 0.87 LPL (0.51) LPLLIPGHIF1ACA1CA2
SCHEMBL12984850 0.85 LIPG (0.54) LPLLIPGHIF1ACA1CA2
SCHEMBL22770715 0.85 LIPG (0.54) LPLLIPGHIF1ACA1CA2
SCHEMBL22269908 0.85 LIPG (0.54) LPLLIPGHIF1ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559310-B2 Reacting a halogen aromatic derivative at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a suitable base for covalently coupling organic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-05-06 US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US claimed
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
EP-4504733-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2025-02-12 EP disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 EP disclosed
CN-118440514-A Benzodithiadiazole organic dye, preparation method and application thereof, and electrowetting display ink 光显科技(广东)有限公司 2024-08-06 CN disclosed
EP-3680947-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2024-05-29 EP disclosed
CN-115925751-B Organic metal iridium complex, preparation method and application thereof in organic electroluminescent device 吉林奥来德光电材料股份有限公司 2024-02-20 CN disclosed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2147944-A1 PYRENE POLYMER AND LUMINESCENT ELEMENT MADE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-27 EP disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
WO-2008140133-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-11-20 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 (7 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-20080297034-A1 BIPHENYL DERIVATIVE AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LEF1, CYP1B1, ESR1 LPL 1927/4885LIPG 3067/4885HIF1A 2858/4885
US-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 LPL 4181/4885LIPG 4621/4885HIF1A 4507/4885
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 LPL 3983/4885LIPG 4317/4885HIF1A 1799/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B LPL 4584/4885LIPG 4847/4885HIF1A 3796/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 LPL 3144/4885LIPG 4256/4885HIF1A 2638/4885
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 LPL 3488/4885LIPG 3575/4885HIF1A 3217/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS LPL 2932/4885LIPG 449/4885HIF1A 2379/4885

“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.