SCHEMBL12165452

SCHEMBL12165452

O=C(OC1CCCCC1N1CCOCC1)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.39
▸ KCNA5 P22460 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 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
Hydrochloric Acid SCHEMBL8441461 0.78 ALDH1A1 (0.51) SLC18A3KCNA5SCN5AALDH1A1MEN1
SCHEMBL12015481 0.77 SLC18A3 (0.40) SLC18A3KCNA5SCN5AL3MBTL1ALDH1A1
SCHEMBL12017268 0.74 SLC18A3 (0.36) SLC18A3KCNA5SCN5AL3MBTL1ALDH1A1
SCHEMBL7802112 0.72 KCNA5 (0.52) SLC18A3KCNA5SCN5AALDH1A1MEN1
SCHEMBL12015508 0.71 SLC18A3 (0.34) SLC18A3KCNA5SCN5AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7799081 0.71 KCNA5 (0.51) SLC18A3KCNA5SCN5AALDH1A1MEN1
SCHEMBL28851261 0.70 ALDH1A1 (0.39) SLC18A3KCNA5SCN5AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9068002 0.70 ALDH1A1 (0.51) SLC18A3KCNA5SCN5AALDH1A1NPSR1
SCHEMBL12705062 0.69 GSR (0.41) MEN1KMT2A
SCHEMBL7793151 0.68 SLC18A3 (0.50) SLC18A3ALDH1A1HPGDNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921028-B2 Salt, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-30 — — US disclosed
US-20120231392-A1 SALT, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-13 — — 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-20120231392-A1 SALT, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, RCOR3, REN SLC18A3 3552/4885KCNA5 616/4885SCN5A 525/4885

“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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