SCHEMBL497771

SCHEMBL497771

CCOC(=O)C#CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TRPA1 O75762 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MMP8 P22894 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL30031260 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10386529 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL21582004 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL22816036 0.81 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10561417 0.80 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18446 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4132648 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6842584 0.78 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10388019 0.78 CHRNB2 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL7138818 0.77 ALOX15 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684667-A Compounds for the treatment of fasciolopsis 默克专利股份有限公司 2024-09-24 CN disclosed
CN-112512636-B Compounds for the treatment of fasciolopsis 默克专利股份有限公司 2024-06-18 CN disclosed
US-12006320-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2024-06-11 US disclosed
US-11744897-B2 Folate receptor targeted nanoparticle drug conjugates and uses thereof ELUCIDA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-20230263899-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-24 US disclosed
US-20230263898-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-24 US disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 US disclosed
CN-115322199-A Compounds and their use in the treatment of schistosomiasis 默克专利股份有限公司 2022-11-11 CN disclosed
CN-110461848-B Compounds and their use in the treatment of schistosomiasis 默克专利股份有限公司 2022-09-20 CN disclosed
CN-108929281-B Triazole compound and synthesis method and application thereof 华东师范大学 2021-12-24 CN disclosed
EP-2227450-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE Oregon Health&Science University (US) 2010-09-15 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 US disclosed
WO-2009062082-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 WO disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (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-12006320-B2 Heterocyclic derivatives as PI3K inhibitors PIK3CD, PIK3R5, PIK3CA ALDH1A1 2309/4885LMNA 3395/4885HSD17B10 1383/4885
US-20230263899-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF FOLR1, FOLR2, DHFR ALDH1A1 1046/4885LMNA 3136/4885HSD17B10 3064/4885
US-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE ESR1, GPER1, ESR2 ALDH1A1 2898/4885LMNA 3942/4885HSD17B10 540/4885
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP ALDH1A1 1060/4885LMNA 605/4885HSD17B10 2628/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ALDH1A1 2294/4885LMNA 2810/4885HSD17B10 104/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 ALDH1A1 2124/4885LMNA 2630/4885HSD17B10 117/4885
US-20230263898-A1 FOLATE RECEPTOR TARGETED NANOPARTICLE DRUG CONJUGATES AND USES THEREOF FOLR1, FOLR2, DHFR ALDH1A1 1046/4885LMNA 3136/4885HSD17B10 3064/4885
US-11744897-B2 Folate receptor targeted nanoparticle drug conjugates and uses thereof FOLR1, FOLR2, DHFR ALDH1A1 1046/4885LMNA 3136/4885HSD17B10 3064/4885

“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.