SCHEMBL26086379

SCHEMBL26086379

Oc1ccccc1CNCCCNCCCCNCCCNCc1c(O)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.62
▸ CA2 P00918 5/20 0.62
▸ CA9 Q16790 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ KCNT1 Q5JUK3 1/20 0.55
▸ MPO P05164 6/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ TAAR1 Q96RJ0 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
SCHEMBL30380374 0.92 KCNT1 (0.59) KDM4EHSD17B10KCNT1CYP1A2CYP2C9
SCHEMBL11593078 0.87 KCNT1 (0.60) CA12CA2CA9KDM4EHSD17B10
SCHEMBL26087028 0.86 CA12 (0.70) CA12CA2CA9KDM4EHSD17B10
SCHEMBL26087538 0.85 CA12 (0.64) CA12CA2CA9KDM4EHSD17B10
SCHEMBL26086339 0.83 KCNT1 (0.51) KDM4EHSD17B10KCNT1CYP1A2CYP2C9
SCHEMBL26087471 0.82 CA12 (0.92) CA12CA2CA9KDM4EHSD17B10
SCHEMBL12530633 0.80 KCNT1 (0.56) KDM4EHSD17B10KCNT1CYP1A2CYP2C9
SCHEMBL12531030 0.79 HSD17B10 (0.68) KDM4EHSD17B10KCNT1CYP1A2CYP2C9
SCHEMBL11241212 0.79 CA12 (1.00) CA12CA2CA9KDM4EHSD17B10
SCHEMBL24435599 0.77 CA12 (1.00) CA12CA2CA9KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409496-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2024-12-12 — — US disclosed
EP-4423055-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES Consejo Superior de Investigaciones Cientificas (ES) 2024-09-04 — — EP disclosed
WO-2023072434-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2023-05-04 — — WO disclosed
EP-4169902-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2023-04-26 — — 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 (1 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-20240409496-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES SMS, SRM, SMOX CA12 1596/4885CA2 2529/4885CA9 1806/4885

“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.

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