SCHEMBL423691

SCHEMBL423691

COC(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
PTGS1 P23219 1/20 0.49
TBXAS1 P24557 1/20 0.49
MAPK1 P28482 1/20 0.49
PTGS2 P35354 1/20 0.49
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABL1 P00519 1/20 0.47
SERPINH1 P50454 1/20 0.46
ACLY P53396 2/20 0.46
STK39 Q9UEW8 4/20 0.46
GAA P10253 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL855750 0.85 LMNA (0.52) ALDH1A1TSHRABL1SERPINH1ACLY
SCHEMBL4509845 0.85 CA12 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1PTGS2
SCHEMBL12478545 0.83 ABL1 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1TSHR
SCHEMBL30810238 0.83 BCL2L1 (0.47) PTGS2ALDH1A1CYP3A4ABL1SERPINH1
SCHEMBL3308973 0.83 BCL2L1 (0.47) PTGS2ALDH1A1CYP3A4ABL1SERPINH1
SCHEMBL3489830 0.81 GAA (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL3203329 0.81 ABL1 (0.45) ABL1SERPINH1ACLYGAASLC6A4
SCHEMBL3224195 0.81 ABL1 (0.45) AKR1C4AKR1C3AKR1C2AKR1C1TSHR
SCHEMBL6410362 0.81 GAA (0.49) ALDH1A1CYP3A4TSHRHSD17B10ABL1
SCHEMBL15662614 0.81 ABL1 (0.45) ABL1SERPINH1ACLYGAASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014063667-A1 MESOPOROUS PARTICLES, PREPARATION AND USE THEREOF AGRA GROUP, A.S. (CZ) 2014-05-01 WO claimed
US-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 US disclosed
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 WO disclosed
WO-2014063667-A1 MESOPOROUS PARTICLES, PREPARATION AND USE THEREOF AGRA GROUP, A.S. (CZ) 2014-05-01 WO disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-8003286-B2 Photoreceptor for electrophotography HODOGAYA CHEMICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 US disclosed
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0018830-B1 SPIROBENZOFURANONES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-06-08 EP disclosed
EP-0003084-B1 SPIROBENZOFURANONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Takeda Chemical Industries, Ltd. (JP) 1982-02-24 EP disclosed
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 US disclosed
EP-0018830-A2 Spirobenzofuranones, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-11-12 EP disclosed
EP-0003084-A1 Spirobenzofuranone compounds, processes for their preparation and their use as medicines Takeda Chemical Industries, Ltd. (JP) 1979-07-25 EP disclosed
US-4020081-A FOR COPPER AND NICKEL GENERAL MILLS CHEMICALS, INC. (US) 1977-04-26 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 (4 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 AKR1C4 636/4885AKR1C3 420/4885AKR1C2 704/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 AKR1C4 494/4885AKR1C3 420/4885AKR1C2 584/4885
US-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 AKR1C4 2216/4885AKR1C3 2529/4885AKR1C2 2852/4885
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 AKR1C4 62/4885AKR1C3 74/4885AKR1C2 68/4885

“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.