SCHEMBL3461631

SCHEMBL3461631

O=C(O)c1cc(O)c(O)c(Br)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.78
CA12 O43570 4/20 0.70
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
CA7 P43166 4/20 0.70
CA9 Q16790 4/20 0.70
CA14 Q9ULX7 4/20 0.70
CA4 P22748 3/20 0.70
CA6 P23280 3/20 0.70
KDM4E B2RXH2 2/20 0.70
MAPT P10636 2/20 0.70
CA3 P07451 2/20 0.70
CA5A P35218 2/20 0.70
CA5B Q9Y2D0 2/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
SELL P14151 1/20 0.70
HPGD P15428 1/20 0.70
SELP P16109 1/20 0.70

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
SCHEMBL29373087 1.00 TTR (0.78) TTRCA12CA1CA2CA7
SCHEMBL1114408 0.88 TTR (1.00) TTRCA12CA1CA2CA7
SCHEMBL15511901 0.84 TTR (0.54) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL30375631 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL1845406 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL29484566 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL15012 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL678990 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL4918056 0.83 CA12 (1.00) TTRCA12CA1CA2CA7
Gallic Acid SCHEMBL8088102 0.83 CA12 (1.00) TTRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117233299-A Method for detecting halogenated polyphenol in drinking water by solid phase extraction-vacuum centrifugal concentration-liquid chromatography tandem mass spectrometry 浙江大学 2023-12-15 CN claimed
US-11673997-B2 Work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations COVESTRO LLC (US) 2023-06-13 US claimed
EP-4004076-A1 IMPROVED WORK TIME TO WALK-ON TIME RATIO BY ADDING A PHENOLIC CATALYST TO POLYASPARTIC FLOORING FORMULATIONS Covestro LLC (US) 2022-06-01 EP claimed
CN-114144454-A Improved operating time to open-run time ratio by adding phenolic catalysts to polyaspartic flooring formulations 科思创有限公司 2022-03-04 CN claimed
CN-113816940-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-21 CN claimed
CN-113754634-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-07 CN claimed
US-20210032407-A1 WORK TIME TO WALK-ON TIME RATIO BY ADDING A PHENOLIC CATALYST TO POLYASPARTIC FLOORING FORMULATIONS COVESTRO LLC 2021-02-04 US claimed
WO-2021021801-A1 IMPROVED WORK TIME TO WALK-ON TIME RATIO BY ADDING A PHENOLIC CATALYST TO POLYASPARTIC FLOORING FORMULATIONS COVESTRO LLC (US) 2021-02-04 WO claimed
US-20100168279-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS HENKEL AG & CO. KGAA (DE) 2010-07-01 US claimed
EP-2001924-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS National Starch and Chemical Investment Holding Corporation (US) 2008-12-17 EP claimed
WO-2007114822-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-10-11 WO claimed
US-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20100168279-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS HENKEL AG & CO. KGAA (DE) 2010-07-01 US disclosed
EP-2001924-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS National Starch and Chemical Investment Holding Corporation (US) 2008-12-17 EP disclosed
WO-2007114822-A1 THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-10-11 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, CHRM1 TTR 1234/4885CA12 2583/4885CA1 2910/4885
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE ALK, EXOSC4, EXOSC9 TTR 1438/4885CA12 4013/4885CA1 4122/4885
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE CHRM3, CHRM1, CHRM2 TTR 1354/4885CA12 3077/4885CA1 4011/4885
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE ACTN1, ARPC3, ARPC4 TTR 1327/4885CA12 3688/4885CA1 4197/4885

“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.