SCHEMBL4274882

SCHEMBL4274882

CCC(C)N(C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL18433370 1.00 TSHR (0.30) TSHR
SCHEMBL24495013 0.80 TSHR (0.31) TSHR
SCHEMBL19033046 0.80 TSHR (0.31) TSHR
SCHEMBL17173285 0.77 TSHR (0.30) TSHR
SCHEMBL18354296 0.77 ALDH1A1 (0.33)
SCHEMBL12566599 0.77
SCHEMBL21745868 0.77 TSHR (0.30) TSHR
SCHEMBL22950621 0.77 ALDH1A1 (0.30) TSHR
SCHEMBL20768162 0.77 GRIN1 (0.32)
SCHEMBL18135505 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185853-B2 Catalysts for polycarbonate production SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-11-30 US disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-10662211-B2 Catalysts and methods for polymer synthesis Saurdi Aramco Technologies Company (SA) 2020-05-26 US disclosed
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 US disclosed
US-10479861-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2019-11-19 US disclosed
US-20190256650-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS NOVOMER, INC. (US) 2019-08-22 US disclosed
US-20190193062-A1 CATALYSTS FOR POLYCARBONATE PRODUCTION ARAMCO PERFORMANCE MATERIALS LLC 2019-06-27 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 US disclosed
US-10294250-B2 Organoaminosilanes and methods for making same VERSUM MATERIALS US, LLC (US) 2019-05-21 US disclosed
EP-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP disclosed
EP-1240163-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLPYRAZOLE BASF AG (DE) 2004-03-31 EP disclosed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030100590-A1 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole BASF AKTIENGESELLSCHAFT (DE) 2003-05-29 US disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 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 (11 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-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides CBR3, HDHD5, CBR1 TSHR 2584/4885
US-10662211-B2 Catalysts and methods for polymer synthesis PPOX, COASY, SOD1 TSHR 4849/4885
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives CBR3, CBR1, RRS1 TSHR 1631/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TSHR 4787/4885
US-10479861-B2 Catalytic carbonylation catalysts and methods CBR3, CBR1, EPHX2 TSHR 4642/4885
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 TSHR 4624/4885
US-20190256650-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS CBR3, CBR1, EPHX2 TSHR 4642/4885
US-20030100590-A1 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole CBR3, CBR1, DHX35 TSHR 3034/4885
US-10294250-B2 Organoaminosilanes and methods for making same DDAH1, IDUA, DDT TSHR 3989/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 TSHR 4533/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TSHR 4787/4885

“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.