SCHEMBL483910

SCHEMBL483910

COc1ccc(OCCC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PPARA Q07869 1/20 0.47
MAPT P10636 4/20 0.47
APP P05067 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 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
SCHEMBL14524692 0.91 SMN1; SMN2 (0.47) PPARADRD2DRD4DRD3SMN1; SMN2
SCHEMBL16472055 0.89 PPARA (0.54) CA12CA1CA2CA7CA9
SCHEMBL322285 0.83 PPARA (0.45) CA12CA1CA2CA7CA9
SCHEMBL21414840 0.83 PPARA (0.45) CA12CA1CA2CA7CA9
SCHEMBL12868339 0.83 DRD2 (0.52) PPARADRD2DRD4DRD3NPC1
SCHEMBL1343630 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2565153 0.81 TDP1 (0.55) MAPTAPPNPC1RAB9ASMN1; SMN2
SCHEMBL11988222 0.81 LTA4H (0.55) DRD2DRD4DRD3SMN1; SMN2
SCHEMBL10202971 0.81 CYP1A2 (0.50) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL12384893 0.81 KDM4E (0.54) MAPTAPPNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477497-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE Bayer CropScience AG (DE) 2012-07-25 EP claimed
EP-2445348-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES Bayer Cropscience AG (DE) 2012-05-02 EP claimed
WO-2011029551-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-17 WO claimed
WO-2010149369-A1 COMBINATIONS OF FUNGICIDALLY ACTIVE YEAST AND FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
WO-2006122952-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed
WO-2006117356-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 WO disclosed
WO-2006117358-A1 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 WO disclosed
WO-2006108791-A2 HETEROCYCLYLETHYLHETEROCYCLYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO 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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CA12 3573/4885CA1 4238/4885CA2 4222/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CA12 3573/4885CA1 4238/4885CA2 4222/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CA12 4647/4885CA1 4870/4885CA2 4606/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS CA12 4647/4885CA1 4870/4885CA2 4606/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS CA12 4647/4885CA1 4870/4885CA2 4606/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CA12 1512/4885CA1 1652/4885CA2 2376/4885

“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.