SCHEMBL6404856

SCHEMBL6404856

CC(C)(C)OC(=O)Nc1ccc(CCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.56
DRD2 P14416 1/20 0.52
CYP4A11 Q02928 2/20 0.50
PPARA Q07869 2/20 0.49
GLS O94925 1/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
NAMPT P43490 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MAPK14 Q16539 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP4F2 P78329 1/20 0.45
NR1H2 P55055 1/20 0.44
PSMB8 P28062 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL1314199 0.95 CYP17A1 (0.54) CYP17A1DRD2CYP4A11PPARAGLS
SCHEMBL2244813 0.91 CYP17A1 (0.58) CYP17A1DRD2CYP4A11PPARAGLS
SCHEMBL15014088 0.88 NPC1 (0.62) CYP17A1DRD2GLSNPC1HPGD
SCHEMBL6407210 0.87 CYP17A1 (0.54) CYP17A1DRD2PPARAGLSNPC1
SCHEMBL13181089 0.87 HPGD (0.57) CYP17A1DRD2NPC1HPGDRAB9A
SCHEMBL13152667 0.87 CYP17A1 (0.54) CYP17A1DRD2PPARAGLSNPC1
SCHEMBL3658863 0.85 CYP17A1 (0.53) CYP17A1DRD2PPARAGLSNPC1
SCHEMBL21049585 0.85 SPHK1 (0.59) CYP17A1NPC1HPGDRAB9A
SCHEMBL3569934 0.85 NR1H4 (0.60) CYP17A1DRD2PPARAGLSNPC1
SCHEMBL10028043 0.85 DRD2 (0.48) CYP17A1DRD2PPARAGLSNAMPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE C4 THERAPEUTICS, INC. 2024-08-29 US disclosed
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 WO disclosed
CN-111263761-B Novel polymer and diamine compound 日产化学株式会社 2022-11-04 CN disclosed
CN-111263761-A Novel polymer and diamine compound 日产化学株式会社 2020-06-09 CN disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 CYP17A1 2149/4885DRD2 1542/4885CYP4A11 2762/4885
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CYP17A1 2753/4885DRD2 2861/4885CYP4A11 3640/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 CYP17A1 166/4885DRD2 3387/4885CYP4A11 21/4885

“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.