SCHEMBL4868570

SCHEMBL4868570

C[C@H]1CC(=O)CC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 5/20 0.38
CRBN Q96SW2 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 6/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24862 1.00 ALDH1A1 (0.42) ALDH1A1GAATDP1MAPTCRBN
SCHEMBL27781831 1.00 ALDH1A1 (0.42) ALDH1A1GAATDP1MAPTCRBN
Water SCHEMBL27960090 0.98 ALDH1A1 (0.41) ALDH1A1GAATDP1MAPTCRBN
Ethylene SCHEMBL28206554 0.96 ALDH1A1 (0.41) ALDH1A1GAATDP1MAPTCRBN
Sulfuric Acid SCHEMBL28235756 0.90 ALDH1A1 (0.38) ALDH1A1GAATDP1MAPTCRBN
SCHEMBL27535109 0.87 ALDH1A1 (0.36) ALDH1A1GAATDP1MAPTNPSR1
Glycerin SCHEMBL112905 0.85 ALDH1A1 (0.35) ALDH1A1GAATDP1MAPTNPSR1
Phenol SCHEMBL7159260 0.82 ESR1 (0.41) ALDH1A1TDP1MAPTNPSR1KDM4E
Phenol SCHEMBL15518162 0.82 ESR1 (0.41) ALDH1A1TDP1MAPTNPSR1KDM4E
Phenol SCHEMBL21963466 0.82 ESR1 (0.41) ALDH1A1TDP1MAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-112250627-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-22 CN disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
CN-102336694-B The synthetic method of bis(t-butylperoxy) ketal CHINA PETROLEUM & CHEMICAL CORP. (CN) 2015-09-16 CN disclosed
CN-102336695-B Production method of di(tert-butylperoxy)ketal CHINA PETROCHEMICAL CORP 2014-12-03 CN disclosed
CN-102336695-A Production method of di(tert-butylperoxy)ketal CHINA PETROCHEMICAL CORP 2012-02-01 CN disclosed
CN-102336694-A Synthesis method of di(tert-butylperoxy)ketal CHINA PETROCHEMICAL CORP 2012-02-01 CN disclosed
CN-101543777-A Catalysts with adjustable metal particle size, and application thereof in controlling spatial configuration DALIAN CHEMICAL PHYSICS INST 2009-09-30 CN disclosed
CN-101543777-A Catalysts with adjustable metal particle size, and application thereof in controlling spatial configuration DALIAN CHEMICAL PHYSICS INST 2009-09-30 CN disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 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 (7 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-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 ALDH1A1 14/4885GAA 1050/4885TDP1 2746/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885GAA 2007/4885TDP1 4837/4885

“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.