SCHEMBL648753

SCHEMBL648753

COC(=O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
PTGS2 P35354 1/20 0.51
PLG P00747 2/20 0.50
KLK1 P06870 2/20 0.50
KLK6 Q92876 2/20 0.50
KLKB1 P03952 1/20 0.50

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
SCHEMBL29637890 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL13609957 0.88 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3157053 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL14168030 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL23645185 0.85 CFTR (0.51) CA12CA1CA2CA7CA9
SCHEMBL13280707 0.84 CFTR (0.64) CA12CA1CA2CA7CA9
SCHEMBL4397432 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL8081709 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10744053 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL13609971 0.82 CA12 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574368-B Synthesis method of methyl 5-tert-butyl-2-hydroxybenzoate 西安瑞联新材料股份有限公司 2023-03-28 CN claimed
CN-111574368-A Synthesis method of methyl 5-tert-butyl-2-hydroxybenzoate 西安瑞联新材料股份有限公司 2020-08-25 CN claimed
US-20250288563-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED 2025-09-18 US disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
EP-4484402-A2 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-01-01 EP disclosed
EP-3717455-B1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-02 US disclosed
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-02 US disclosed
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-02 US disclosed
US-20240166607-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-23 US disclosed
CN-117924170-A Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-04-26 CN disclosed
US-7294720-B2 Opioid receptor active compounds THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-11-13 US disclosed
US-7294720-B2 Opioid receptor active compounds THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-11-13 US disclosed
US-7294720-B2 Opioid receptor active compounds THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-11-13 US disclosed
US-20060128776-A1 Opioid receptor active compounds THE CURATORS OF THE UNIVERSITY OF MISSOURI 2006-06-15 US disclosed
US-7045520-B2 Opioid receptor active compounds THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2006-05-16 US disclosed
EP-1485088-A1 OPIOID RECEPTOR ACTIVE 4-(3-HYDROXYPHENYL) OR 4-(3-ALKOXYPHENYL)-1,2,4-TRIAZOLE COMPOUNDS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2004-12-15 EP disclosed
US-20030225072-A1 Opioid receptor active compounds CURATORS OF THE UNIVERSITY OF MISSOURI, THE 2003-12-04 US disclosed
WO-2003066050-A1 OPIOID RECEPTOR ACTIVE 4-(3-HYDROXYPHENYL) OR 4-(3-ALKOXYPHENYL)-1,2,4-TRIAZOLE COMPOUNDS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2003-08-14 WO disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 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 (6 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-20030225072-A1 Opioid receptor active compounds OPRL1, OPRM1, OPRK1 CA12 4511/4885CA1 3616/4885CA2 2746/4885
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator CFTR, SLC47A2, SCNN1B CA12 4735/4885CA1 4876/4885CA2 3359/4885
US-20240166607-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC47A2, SCNN1B CA12 4735/4885CA1 4876/4885CA2 3359/4885
US-20060128776-A1 Opioid receptor active compounds OPRL1, OPRM1, OPRK1 CA12 4199/4885CA1 3741/4885CA2 2515/4885
US-20250288563-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, SLC26A4, SCNN1B CA12 2511/4885CA1 4396/4885CA2 580/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP CA12 4808/4885CA1 4853/4885CA2 4637/4885

“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.