SCHEMBL17359219

SCHEMBL17359219

O=C(O)C1CCCCCCCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RAB9A P51151 1/20 0.46
▸ FABP5 Q01469 3/20 0.45
▸ FABP7 O15540 2/20 0.45
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ LTA4H P09960 3/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ PREP P48147 2/20 0.41
▸ FKBP1A P62942 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL27028706 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL30792899 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL29447672 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL30510359 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL119365 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL29402209 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL4575275 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL119867 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL29383097 0.99 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7
SCHEMBL1002927 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9AFABP5FABP7

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-20170095445-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG RADIKAL THERAPEUTICS INC (US) 2017-04-06 — — US disclosed
US-20150368197-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG RADIKAL THERAPEUTICS INC. 2015-12-24 — — 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-20150368197-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG ELANE, CYSLTR1, CYSLTR2 ALDH1A1 932/4885SMN1; SMN2 3469/4885RAB9A 3485/4885
US-20170095445-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG MPO, ELANE, CYSLTR2 ALDH1A1 948/4885SMN1; SMN2 3390/4885RAB9A 3083/4885

“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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