SCHEMBL1404936

SCHEMBL1404936

CC(=O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
GAA P10253 1/20 0.50
CNR1 P21554 1/20 0.49
IDO1 P14902 1/20 0.47
HPGD P15428 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACLY P53396 2/20 0.45
GGPS1 O95749 1/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL30799277 1.00 PDPK1 (0.54) PDPK1GAACNR1IDO1HPGD
SCHEMBL1923067 0.91 ACLY (0.50) PDPK1GAACNR1IDO1HPGD
SCHEMBL11637870 0.86 ACLY (0.56) ACLY
SCHEMBL7330078 0.85 PDPK1 (0.56) PDPK1CNR1IDO1HPGDPLAAT3
SCHEMBL586345 0.83 PDPK1 (0.59) PDPK1CNR1HPGDPLAAT3PLAAT5
SCHEMBL2489075 0.83 PDPK1 (0.55) PDPK1CNR1IDO1HPGDPLAAT3
SCHEMBL30567601 0.83 PDPK1 (0.59) PDPK1CNR1HPGDPLAAT3PLAAT5
SCHEMBL22123457 0.82 PYCR1 (0.42) PDPK1GAAIDO1CYP1A2CYP2C9
SCHEMBL29159434 0.82 PDPK1 (0.51) PDPK1CNR1IDO1HPGDPLAAT3
SCHEMBL2625213 0.82 PDPK1 (0.51) PDPK1GAACNR1IDO1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603029-A Synthesis method of penconazole key intermediate 江苏禾本生化有限公司 2024-02-27 CN claimed
CN-102584726-B Method for preparing penconazole serving as bacteriacide ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2014-05-14 CN claimed
CN-103304394-A Synthetic method of 2,4-dichlorobenzene butanone JIANGYAN KEYAN FINE CHEMICAL CO LTD 2013-09-18 CN claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
CN-117603029-A Synthesis method of penconazole key intermediate 江苏禾本生化有限公司 2024-02-27 CN disclosed
EP-3082420-B1 SYNERGISTIC HERBICIDAL WEED CONTROL AND IMPROVED CROP TOLERANCE FROM COMBINATIONS OF 2,4-D-CHOLINE, GLYPHOSATE, AND GLUFOSINATE IN 2,4-D-, GLYPHOSATE- AND GLUFOSINATE-TOLERANT SOYBEANS, CORN, COTTON AND OTHER CROP AREAS DOW AGROSCIENCES LLC (US) 2020-10-28 EP disclosed
CN-102584726-B Method for preparing penconazole serving as bacteriacide ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2014-05-14 CN disclosed
CN-103304394-A Synthetic method of 2,4-dichlorobenzene butanone JIANGYAN KEYAN FINE CHEMICAL CO LTD 2013-09-18 CN disclosed
CN-103304394-A Synthetic method of 2,4-dichlorobenzene butanone JIANGYAN KEYAN FINE CHEMICAL CO LTD 2013-09-18 CN disclosed
CN-103304394-A Synthetic method of 2,4-dichlorobenzene butanone JIANGYAN KEYAN FINE CHEMICAL CO LTD 2013-09-18 CN disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
EP-0117578-A2 Azole-substituted alcohol derivatives SHIONOGI & CO., LTD. (JP) 1984-09-05 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 (3 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-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA PDPK1 22/4885GAA 1540/4885CNR1 4211/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 PDPK1 4290/4885GAA 227/4885CNR1 320/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PDPK1 3894/4885GAA 136/4885CNR1 4218/4885

“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.