SCHEMBL464505

SCHEMBL464505

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
LPL P06858 12/20 0.55
LIPG Q9Y5X9 12/20 0.55
SNCA P37840 1/20 0.54
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 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
CA5B Q9Y2D0 1/20 0.46
F11 P03951 1/20 0.45
ESR2 Q92731 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL25658494 0.94 CA1 (0.54) CA1CA2CA9LPLLIPG
SCHEMBL22795474 0.94 LIPG (0.65) CA1CA2CA9LPLLIPG
SCHEMBL28889064 0.89 RAB9A (0.57) CA1CA2CA9LPLLIPG
SCHEMBL28510203 0.89 LPL (0.65) CA1CA2CA9LPLLIPG
SCHEMBL29240155 0.89 CA1 (0.50) CA1CA2CA9LPLLIPG
Pentane SCHEMBL23632864 0.89 LPL (0.59) CA1CA2CA9LPLLIPG
SCHEMBL10281532 0.89 CA1 (0.50) CA1CA2CA9LPLLIPG
SCHEMBL15481240 0.89 P4HB (0.50) CA1CA2CA9LPLLIPG
SCHEMBL14646280 0.89 CA1 (0.50) CA1CA2CA9LPLLIPG
SCHEMBL15220523 0.89 CA1 (0.50) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-24 US claimed
US-12076715-B1 Synthesis and characterization of air-stable iron-based catalysts for Suzuki-Miyaura cross-coupling reactions of alkyl halides and aryl boronic esters THE TRUSTEES OF BOSTON COLLEGE (MA) 2024-09-03 US claimed
CN-113480523-A Preparation method of pimobendan 江苏君若药业有限公司 2021-10-08 CN claimed
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-08-12 US claimed
EP-3807248-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF Council of Scientific and Industrial Research (IN) 2021-04-21 EP claimed
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
EP-3792262-B1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2026-04-15 EP disclosed
US-20260062407-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER UNIV WAKE FOREST HEALTH SCIENCES (US) 2026-03-05 US disclosed
US-20260050210-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING SAME NIPPON SHOKUBAI CO., LTD. (JP) 2026-02-19 US disclosed
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER UNIV WAKE FOREST HEALTH SCIENCES (US) 2025-12-18 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
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 disclosed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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 (9 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-20260062407-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX3, PRDX2 CA1 2392/4885CA2 481/4885CA9 2041/4885
US-12076715-B1 Synthesis and characterization of air-stable iron-based catalysts for Suzuki-Miyaura cross-coupling reactions of alkyl halides and aryl boronic esters NBAS, BLVRB, TFRC CA1 1783/4885CA2 1516/4885CA9 278/4885
US-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 CA1 3882/4885CA2 2090/4885CA9 643/4885
US-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof TOP1, TOP2A, TOP2B CA1 1794/4885CA2 2379/4885CA9 1994/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B CA1 3496/4885CA2 2022/4885CA9 407/4885
US-20260050210-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING SAME MAL2, MCM6, MCM3 CA1 1842/4885CA2 1817/4885CA9 497/4885
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF TOP1, TOP2A, TOP2B CA1 1794/4885CA2 2379/4885CA9 1994/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B CA1 533/4885CA2 198/4885CA9 483/4885
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 CA1 1012/4885CA2 531/4885CA9 474/4885

“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.