SCHEMBL826690

SCHEMBL826690

CC(O[C]=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL2198197 0.98 SHBG (0.32) SHBGCA12CA1CA2MMP2
SCHEMBL3020048 0.93
SCHEMBL456219 0.87
SCHEMBL4672205 0.79
SCHEMBL2839695 0.78 EPHX1 (0.34) SHBGEPHX1ALDH1A1
SCHEMBL29032098 0.77
SCHEMBL2961100 0.77 CPN1 (0.33)
SCHEMBL10456526 0.77 CTSK (0.30) SHBG
SCHEMBL17748236 0.77
SCHEMBL21218791 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US claimed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 US claimed
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-04-03 US claimed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 EP claimed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 WO claimed
EP-4364739-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR OSAKA UNIVERSITY (JP) 2024-05-08 EP disclosed
US-11976062-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2024-05-07 US disclosed
WO-2024043242-A1 HEART FAILURE TREATMENT VIA CARDIOTONIC EFFECT BY TRPC3/6/7 CHANNEL ACTIVATION 国立大学法人九州大学 2024-02-29 WO disclosed
EP-3789383-B9 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2024-02-28 EP disclosed
CN-117580577-A Pharmaceutical composition for preventing and/or treating kidney injury and autophagy activator 国立大学法人大阪大学 2024-02-20 CN disclosed
WO-2023233994-A1 PHARMACEUTICAL COMPOSITION AND AUTOPHAGY ACTIVATOR 国立大学法人京都大学 2023-12-07 WO disclosed
EP-3789383-B1 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2023-11-29 EP disclosed
WO-1995031441-A1 HETEROCYCLYLAMINO- AND HETEROCYCLYLOXY-CYCLOALKYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-11-23 WO disclosed
US-4604460-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1986-08-05 US disclosed
US-4533730-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1985-08-06 US disclosed
US-4504659-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1985-03-12 US disclosed
US-4478997-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1984-10-23 US disclosed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US disclosed
US-4366316-A FROM OXAZOLINOAZETIDINONE AND ACID SHIONOGI & CO., LTD. (JP) 1982-12-28 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 (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-11976062-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 SHBG 2005/4885CA12 3316/4885CA1 3738/4885
US-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 SHBG 1175/4885CA12 4322/4885CA1 1815/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SHBG 486/4885CA12 1489/4885CA1 1583/4885

“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.