SCHEMBL753044

SCHEMBL753044

CCCCCCCCCCCCCCCCCCCCCCCCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 8/20 1.00
▸ TSHR P16473 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ THRB P10828 1/20 0.53
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ S1PR2 O95136 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ GBA1 P04062 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL108754 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL109289 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL6104785 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL614393 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
Dymanthine SCHEMBL8744671 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL25269808 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL225887 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12
SCHEMBL8463347 1.00 — —
SCHEMBL158743 1.00 — —
SCHEMBL284474 1.00 DNM1 (1.00) DNM1TSHRALDH1A1THRBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114599746-B Nanostructured ink compositions for inkjet printing 昭荣化学工业株式会社 2024-09-03 — — CN claimed
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 — — EP claimed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 — — US claimed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 — — EP claimed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 — — WO claimed
EP-4108297-B1 AQUEOUS SOLUTION COMPOSITION CONTAINING ORGANOSILICON COMPOUND SHINETSU CHEMICAL CO (JP) 2025-09-17 — — EP disclosed
CN-114599746-B Nanostructured ink compositions for inkjet printing 昭荣化学工业株式会社 2024-09-03 — — CN disclosed
CN-118251399-A Composition containing organosilicon compound 信越化学工业株式会社 2024-06-25 — — CN disclosed
WO-2024044481-A1 POLYOLEFIN ELASTOMER VITRIMER PREPARED WITH MULTI-FUNCTIONAL BORON-ESTER CROSSLINKERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-02-29 — — WO disclosed
US-11691994-B2 Aqueous solution composition containing organosilicon compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-04 — — US disclosed
WO-2023095532-A1 COMPOSITION CONTAINING ORGANOSILICON COMPOUND 信越化学工業株式会社 2023-06-01 — — WO disclosed
US-20230021428-A1 AQUEOUS SOLUTION COMPOSITION CONTAINING ORGANOSILICON COMPOUNDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-26 — — US disclosed
US-5118852-A Tert-amine treatment ETHYL CORPORATION (US) 1992-06-02 — — US disclosed
US-5113017-A Process for treating tertiary amines ETHYL CORPORATION (US) 1992-05-12 — — US disclosed
US-5107028-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-21 — — US disclosed
US-5103052-A Tertiary amine treatment ETHYL CORPORATION (US) 1992-04-07 — — US disclosed
US-5103053-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-07 — — US disclosed
US-5075501-A Mixed tert-amine oxide dihydrates ETHYL CORPORATION (US) 1991-12-24 — — US disclosed
US-5071594-A Mixed with a builder ETHYL CORPORATION (US) 1991-12-10 — — US disclosed
US-4490455-A STEARYL-(OCTYL- OR LAURYL-) DIMETHYL AMINE TOSYLATE XEROX CORPORATION (US) 1984-12-25 — — 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 (3 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-11691994-B2 Aqueous solution composition containing organosilicon compounds SI, CMA1, C9 DNM1 3251/4885TSHR 4419/4885ALDH1A1 3005/4885
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL HAO2, GPX4, SQOR DNM1 2773/4885TSHR 2733/4885ALDH1A1 1198/4885
US-20230021428-A1 AQUEOUS SOLUTION COMPOSITION CONTAINING ORGANOSILICON COMPOUNDS SI, CMA1, C9 DNM1 3251/4885TSHR 4419/4885ALDH1A1 3005/4885

“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.

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