SCHEMBL21802414

SCHEMBL21802414

NCCOC(=O)CC(N)C(=O)OCCN

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CTH P32929 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GSR P00390 1/20 0.30

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
SCHEMBL28249218 1.00 ALDH1A1 (0.33) ALDH1A1MAPTTHRBCNR1CTH
SCHEMBL23515494 0.92 TSHR (0.31) ALDH1A1MAPTTHRBCNR1CTH
SCHEMBL29039465 0.88 GSR (0.36) MAPTGSR
SCHEMBL28310928 0.84 ITGB3 (0.42) ALDH1A1MAPTTHRBLMNAGSR
SCHEMBL14742382 0.83 TSHR (0.35) —
SCHEMBL27902176 0.83 CTH (0.33) CTHLMNAGSR
SCHEMBL6431283 0.81 MAPT (0.37) ALDH1A1MAPTLMNA
SCHEMBL6431290 0.81 MAPT (0.37) ALDH1A1MAPTLMNA
SCHEMBL21810562 0.79 MAPT (0.38) ALDH1A1MAPTTHRBCNR1CTH
SCHEMBL21802404 0.79 MAPT (0.38) ALDH1A1MAPTTHRBCNR1CTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180136-B2 Organic amine collection method ASAHI KASEL KABUSHIKI KAISHA (JP) 2024-12-31 — — US disclosed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 — — US disclosed
EP-3795561-B1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2024-11-06 — — EP disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 — — EP disclosed
EP-4431491-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 — — EP disclosed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 — — CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 — — CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 — — WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 — — WO disclosed
US-20230139979-A1 ORGANIC AMINE COLLECTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 — — US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 — — US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 — — US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
EP-3795561-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-03-24 — — EP disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 — — EP disclosed
CN-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 — — CN disclosed
CN-111183131-A Method for recovering organic amine 旭化成株式会社 2020-05-19 — — CN disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
EP-3626705-A1 ISOCYANATE PRODUCTION METHOD Asahi Kasei Kabushiki Kaisha (JP) 2020-03-25 — — EP disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 — — CN 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 (6 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885MAPT 2725/4885THRB 4730/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 ALDH1A1 781/4885MAPT 691/4885THRB 4633/4885
US-20230139979-A1 ORGANIC AMINE COLLECTION METHOD H1-0, F12, C1S ALDH1A1 1007/4885MAPT 2158/4885THRB 1067/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885MAPT 2725/4885THRB 4730/4885
US-12180136-B2 Organic amine collection method H1-0, F12, C1S ALDH1A1 1007/4885MAPT 2158/4885THRB 1067/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 ALDH1A1 630/4885MAPT 1598/4885THRB 4838/4885

“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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