SCHEMBL25330337

SCHEMBL25330337

NCCC1CC(CCN)CC(CCN)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL9369820 1.00 SIGMAR1 (0.32) SIGMAR1NOS3NOS1NOS2EPHX2
SCHEMBL4891777 0.86 SIGMAR1 (0.35) SIGMAR1NOS3NOS1NOS2
SCHEMBL14744459 0.81
SCHEMBL20976940 0.81 EPHX2 (0.31) EPHX2
SCHEMBL13495033 0.81
SCHEMBL24064245 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL14388984 0.81
SCHEMBL11857523 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL185540 0.81 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL8228689 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651495-B Self-cleaning epoxy joint beautifying agent and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2024-11-12 CN claimed
CN-115651495-A Self-cleaning epoxy crack sealer and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2023-01-31 CN claimed
CN-115651495-B Self-cleaning epoxy joint beautifying agent and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2024-11-12 CN disclosed
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 CN disclosed
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US disclosed
CN-115651495-A Self-cleaning epoxy crack sealer and preparation method thereof 宿迁东方雨虹建筑材料有限公司 2023-01-31 CN disclosed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 CN disclosed
US-11261153-B2 Organic amine salt compounds having CO2-donating anions and their use as foaming agent SHANDONG UNIVERSITY OF TECHNOLOGY (CN) 2022-03-01 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 (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-11261153-B2 Organic amine salt compounds having CO2-donating anions and their use as foaming agent PHOSPHO1, METTL14, ALKBH3 SIGMAR1 238/4885NOS3 383/4885NOS1 243/4885
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 SIGMAR1 4005/4885NOS3 2561/4885NOS1 1066/4885

“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.