SCHEMBL13043199

SCHEMBL13043199

O=S(=O)(O)CCCC[n+]1cc2ccccc2c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HTT P42858 5/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALPG P10696 1/20 0.49
▸ NPC1 O15118 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL17187193 0.79 BCHE (0.69) BCHEACHE
SCHEMBL3135483 0.78 KDM4E (0.66) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1002934 0.77 KDM4E (0.57) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13043193 0.74 KDM4E (0.38) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1863413 0.74 KDM4E (0.51) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1922194 0.74 BCHE (0.66) BCHEACHE
SCHEMBL31305314 0.74 BCHE (0.66) BCHEACHE
Water SCHEMBL3975279 0.73 BCHE (0.64) BCHEACHE
SCHEMBL12665678 0.73 KDM4E (0.50) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12629559 0.73 KDM4E (0.50) KDM4EALDH1A1HTTSMN1; SMN2LMNA

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-7829613-B2 Azinium salts as splayant for layered materials EASTMAN KODAK COMPANY (US) 2010-11-09 — — US disclosed
US-7632879-B2 Azinium salts as splayant for layered materials EASTMAN KODAK COMPANY (US) 2009-12-15 — — US disclosed
US-7632879-B2 Azinium salts as splayant for layered materials EASTMAN KODAK COMPANY (US) 2009-12-15 — — US disclosed
US-20090176111-A1 AZINIUM SALTS AS SPLAYANT FOR LAYERED MATERIALS LASER PACIFIC MEDIA CORPORATION 2009-07-09 — — 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 (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-20090176111-A1 AZINIUM SALTS AS SPLAYANT FOR LAYERED MATERIALS NUDT15, NUDT5, ALKBH5 KDM4E 603/4885ALDH1A1 2180/4885HTT 2483/4885

“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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