SCHEMBL441905

SCHEMBL441905

CC1(C)CC(N=C=O)CC(C)(C)N1[O]

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL14165344 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL444362 0.81 APLNR (0.41)
SCHEMBL441906 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL6558019 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL12019112 0.73 ALDH1A1 (0.65) ALDH1A1CYP3A4
SCHEMBL2254659 0.71 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL2049404 0.71 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL3197954 0.68 ALDH1A1 (0.59) ALDH1A1CYP3A4
SCHEMBL15647857 0.68 MMP2 (0.32)
SCHEMBL1486693 0.68

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108969-A Efficient and migration-resistant antioxidant as well as preparation method and application thereof 华南理工大学 2022-09-27 CN claimed
US-8138268-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-03-20 US claimed
CN-115108969-A Efficient and migration-resistant antioxidant as well as preparation method and application thereof 华南理工大学 2022-09-27 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8309658-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-11-13 US disclosed
US-8138268-B2 Adhesive composition, circuit connecting material, connecting structure for circuit member, and semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-03-20 US disclosed
US-20120063109-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE RESONAC CORPORATION (JP) 2012-03-15 US disclosed
WO-2011103111-A1 METHOD OF TREATING DISEASE INVOLVING MYELIN AND/OR AXONAL LOSS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-25 WO disclosed
US-20110176288-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE HITACHI CHEMICAL COMPANY LTD. (JP) 2011-07-21 US disclosed
EP-2246400-A1 Circuit connecting material Hitachi Chemical Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1754762-A1 ADHESIVE COMPOSITION, CIRCUIT CONNECTING MATERIAL, CONNECTING STRUCTURE FOR CIRCUIT MEMBER, AND SEMICONDUCTOR DEVICE Hitachi Chemical Co., Ltd. (JP) 2007-02-21 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885

“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.