SCHEMBL930717

SCHEMBL930717

NC(=O)CCC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALOX5 P09917 3/20 0.45
TP53 P04637 1/20 0.44
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL931218 0.98 HPGD (0.53) HPGDALOX5TP53HSD11B1ALDH1A1
SCHEMBL885302 0.98 HPGD (0.53) HPGDALOX5TP53HSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL5392447 0.95 HPGD (0.52) HPGDALOX5TP53HSD11B1ALDH1A1
SCHEMBL930589 0.95
SCHEMBL26294 0.90
SCHEMBL2752775 0.88 SIGMAR1 (0.46) HPGDALOX5MEN1KMT2A
Hydrochloric Acid SCHEMBL4553434 0.87
SCHEMBL9100 0.86 SIGMAR1 (0.50) HPGDALOX5MEN1KMT2A
SCHEMBL4677733 0.86 KDM5A (0.50) HPGDALOX5TDP1MEN1KMT2A
SCHEMBL8392478 0.86 SIGMAR1 (0.50) HPGDALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552093-A Preparation method of key intermediate of poncirtinib phosphate 济南鼎皓医药科技有限公司 2025-03-04 CN claimed
WO-2023125373-A1 METHOD FOR PREPARING RUXOLITINIB AND INTERMEDIATE THEREOF 江苏威凯尔医药科技有限公司 2023-07-06 WO claimed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
EP-0748314-A1 NOVEL TETRASUBSTITUTED IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING NOVEL INTERMEDIATES, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-12-18 EP claimed
CN-119552093-A Preparation method of key intermediate of poncirtinib phosphate 济南鼎皓医药科技有限公司 2025-03-04 CN disclosed
CN-119552093-A Preparation method of key intermediate of poncirtinib phosphate 济南鼎皓医药科技有限公司 2025-03-04 CN disclosed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
EP-0007614-B1 AN ANTIBACTERIAL COMPOSITION OF THIENAMYCIN-TYPE COMPOUND AND A DIPEPTIDASE INHIBITOR MERCK & CO. INC. (US) 1983-01-26 EP disclosed
EP-0010573-A1 Novel Z-2-acylamino-3-monosubstituted propenic acids and their esters and salts, and processes for preparing them MERCK & CO. INC. (US) 1980-05-14 EP disclosed
EP-0007614-A1 An antibacterial composition of thienamycin-type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1980-02-06 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 (8 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 HPGD 825/4885ALOX5 2305/4885TP53 4790/4885
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG HPGD 1709/4885ALOX5 2682/4885TP53 263/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K HPGD 1433/4885ALOX5 4609/4885TP53 1/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 HPGD 2648/4885ALOX5 2966/4885TP53 95/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HPGD 947/4885ALOX5 2518/4885TP53 4644/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 HPGD 1279/4885ALOX5 4315/4885TP53 29/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HPGD 1253/4885ALOX5 498/4885TP53 2699/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 HPGD 1657/4885ALOX5 413/4885TP53 2331/4885

“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.