SCHEMBL982002

SCHEMBL982002

CCOC(=O)NCC1(C)CC(NC(=O)OCC)CC(C)(C)C1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18323868 0.94 TSHR (0.71) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL10044269 0.94 TSHR (0.84) TSHRALDH1A1LMNATDP1NFKB1
Urethane SCHEMBL27946617 0.94 TSHR (0.66) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL13171360 0.92 TSHR (0.64) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL17380026 0.92 TSHR (0.67) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL14370380 0.92 TSHR (0.67) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL17380031 0.91 TSHR (0.66) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL17380051 0.91 TSHR (0.65) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL20086243 0.90 TSHR (0.64) TSHRALDH1A1LMNATDP1NFKB1
SCHEMBL13813521 0.90 TSHR (0.64) TSHRALDH1A1LMNATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-12037463-B2 Antimicrobial ophthalmic devices comprising polysiloxane-polyglycerol block copolymers and methods of making and use thereof Clearlab Sg Pte Ltd. (SG) 2024-07-16 US disclosed
US-20230227613-A1 ANTIMICROBIAL OPHTHALMIC DEVICES COMPRISING POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF CLEARLAB SG PTE LTD (SG) 2023-07-20 US disclosed
US-20230212357-A1 WOUND DRESSINGS COMPRISING POLYSILOXANE-POLYGLYCEROL BLOCK COPOLYMERS AND METHODS OF MAKING AND USE THEREOF CLEARLAB SG PTE LTD (SG) 2023-07-06 US disclosed
US-11649325-B2 Actinically-crosslinkable polysiloxane-polyglycerol block copolymers and methods of making and use thereof Clearlab Sg Pte Ltd. (SG) 2023-05-16 US 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
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
US-4670421-A ANTICHOLESTEROL AGENTS AMERICAN CYANAMID COMPANY (US) 1987-06-02 US disclosed
EP-0126300-B1 MULTI-STEP PROCESS FOR THE PRODUCTION OF 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATES BASF Aktiengesellschaft (DE) 1987-04-01 EP disclosed
US-4596679-A Multiple-step process for the preparation of 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4596678-A Multiple-step process for the preparation of hexamethylene diisocyanate-1,6 and/or isomeric aliphatic diisocyanates with six carbon atoms in the alkylene residue BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0092738-B1 PROCESS FOR THE CONTINUOUS THERMAL DECOMPOSITION OF CARBAMIC-ACID ESTERS BAYER AG (DE) 1985-07-24 EP disclosed
EP-0126300-A1 Multi-step process for the production of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanates BASF Aktiengesellschaft (DE) 1984-11-28 EP disclosed
EP-0061013-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES BAYER AG (DE) 1984-06-27 EP disclosed
EP-0092738-A1 Process for the continuous thermal decomposition of carbamic-acid esters BAYER AG (DE) 1983-11-02 EP disclosed
US-4388246-A THERMAL SPLITTING OF CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
EP-0061013-A1 Process for the preparation of polyisocyanates BAYER AG (DE) 1982-09-29 EP 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 (1 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-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 TSHR 4594/4885ALDH1A1 630/4885LMNA 1675/4885

“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.