Sugi Predict

Sugi Predict / Compounds / SCHEMBL625345

SCHEMBL625345

SCHEMBL625345

O=C1CCCC1=Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 1.00
▸ AKR1C1 Q04828 1/20 1.00
▸ HTT P42858 3/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ MAPT P10636 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ EGFR P00533 2/20 0.55
▸ CYP1A2 P05177 6/20 0.50
▸ HSD11B1 P28845 2/20 0.50
▸ F3 P13726 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MAOB P27338 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PTGS2 P35354 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
SCHEMBL1524671 1.00 AKR1C3 (1.00) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL21612350 1.00 AKR1C3 (1.00) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL3438304 0.96 AKR1C3 (0.93) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL3438303 0.96 AKR1C3 (0.93) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL9584524 0.96 AKR1C3 (0.93) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL8882867 0.94 AKR1C3 (0.89) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL8882874 0.94 AKR1C3 (0.89) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL8886352 0.90 AKR1C3 (0.81) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL625094 0.87 AKR1C3 (0.77) AKR1C3AKR1C1HTTALDH1A1MAPT
SCHEMBL11817550 0.86 AKR1C3 (0.76) AKR1C3AKR1C1HTTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654460-B1 Process for the C-alkylation of a ketonic compound RHONE POULENC CHIMIE (FR) 1997-06-18 — — EP claimed
US-5618982-A SIMPLE INDUSTRIAL PROCESS OF CATALYZING IN PRESENCE OF METALLIC PHOSPHATES RHONE-POULENC CHIMIE (FR) 1997-04-08 — — US claimed
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 — — EP claimed
EP-0654460-A1 Process for the C-alkylation of a ketonic compound RHONE-POULENC CHIMIE (FR) 1995-05-24 — — EP claimed
CN-113429273-A Synthesis method of metconazole intermediate 江苏省农用激素工程技术研究中心有限公司 2021-09-24 — — CN disclosed
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 — — US disclosed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 — — WO disclosed
CN-104710372-B Metconazole and preparation method thereof 上海交通大学 2017-12-15 — — CN disclosed
CN-104710372-A High purity metconazole and preparation method thereof UNIV SHANGHAI JIAOTONG 2015-06-17 — — CN disclosed
US-8415505-B2 2-methylene-5-substituted-methylenecyclopentanone derivatives and use thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-04-09 — — US disclosed
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 — — WO disclosed
US-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-03-10 — — US disclosed
US-5639918-A Intermediate compounds useful in the preparation of fungicidal compositions containing (benzylidene)-azolylmethyclycloalkane RHONE-POULENC AGROCHIMIE (FR) 1997-06-17 — — US disclosed
US-5618982-A SIMPLE INDUSTRIAL PROCESS OF CATALYZING IN PRESENCE OF METALLIC PHOSPHATES RHONE-POULENC CHIMIE (FR) 1997-04-08 — — US disclosed
CN-1031971-C (Benzylidene)-azolylmethylcycloalkane and use as fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-12 — — CN disclosed
EP-0378953-B1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE POULENC AGROCHIMIE (FR) 1996-06-05 — — EP disclosed
EP-0654460-A1 Process for the C-alkylation of a ketonic compound RHONE-POULENC CHIMIE (FR) 1995-05-24 — — EP disclosed
US-5380743-A Fungicidal compositions containing (benzylidene)-azolymethylcycloalkane RHONE-POULENC AGROCHIMIE (FR) 1995-01-10 — — US disclosed
US-5256683-A Plant protective agent 1H-1,2,4-triazolylmethylcycloalkane or -alkene benzylidene RHONE-POULENC AGROCHIMIE (FR) 1993-10-26 — — US disclosed
EP-0378953-A1 Benzylidene azolyl methyl cycloalkane and its use as a fungicide RHONE-POULENC AGROCHIMIE (FR) 1990-07-25 — — 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 (2 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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 AKR1C3 701/4885AKR1C1 1163/4885HTT 4699/4885
US-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF BRCA1, KLK3, DPYD AKR1C3 435/4885AKR1C1 470/4885HTT 4441/4885

“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.