SCHEMBL4678096

SCHEMBL4678096

CC(C)OC(=O)C(C)(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 4/20 0.35
ADRA1A P35348 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
ADRB3 P13945 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
Hydrochloric Acid SCHEMBL4276809 0.97 TSHR (0.42) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL27869319 0.84 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL18067491 0.80
SCHEMBL20747594 0.80
SCHEMBL20747744 0.80 GRM1 (0.33)
SCHEMBL8093076 0.80 TSHR (0.40) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL18067543 0.80 GRM1 (0.33)
SCHEMBL27434385 0.78 TSHR (0.34) TSHRHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6063978 0.78 TSHR (0.48) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL2478389 0.78 TSHR (0.48) TSHRMEN1KMT2ALMNAADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP claimed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP claimed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 WO claimed
WO-2025061048-A1 STEROID COMPOUND AND USE THEREOF 润尔眼科药物(广州)有限公司 2025-03-27 WO disclosed
WO-2025029075-A1 NOVEL BIPHENYL DERIVATIVE AS PD-L1 INHIBITOR (주)아이랩 2025-02-06 WO disclosed
EP-3386512-B1 ANTIVIRAL PHOSPHODIAMIDE PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME LLC (US) 2023-11-22 EP disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230027727-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
US-6221894-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. MERCK & CO., INC. 2001-04-24 US disclosed
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP disclosed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 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 (2 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-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL TSHR 3784/4885MEN1 896/4885KMT2A 346/4885
US-20230027727-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS PNP, ACE, ACE2 TSHR 4651/4885MEN1 4115/4885KMT2A 3731/4885

“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.