SCHEMBL6711809

SCHEMBL6711809

CCCCCCCCCCCCCCC(OC(C)=O)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ BCL9 O00512 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL7912761 0.79 ALDH1A1 (0.50) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL7919852 0.79 ALDH1A1 (0.50) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL846486 0.78 ALDH1A1 (0.49) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL10944011 0.75 CES2 (0.42) ALDH1A1LMNA
SCHEMBL7921449 0.73 HDAC3 (0.49) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL10965853 0.72 MAPK1 (0.46) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL11634454 0.72 MGLL (0.51) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL8743943 0.71 CNR2 (0.49) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL11021679 0.71 ALDH1A1 (0.46) ALDH1A1MGLLPOLBHDAC3HDAC1
SCHEMBL20496953 0.71 ALDH1A1 (0.44) ALDH1A1MGLLPOLBHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835846-B2 The present invention provides an aliphatic compound represented by the following formula (I) or pharmacologically acceptable salts thereof: the aliphatic compound being an optical isomer of the (2R,3S,2'S) configuration when the MARUHA CORPORATION (JP) 2004-12-28 — — US disclosed
US-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage MARUHA NICHIRO SEAFOODS, INC. (JP) 2004-01-22 — — US disclosed
EP-1325904-A1 NOVEL ALIPHATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USAGE Maruha Corporation (JP) 2003-07-09 — — 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-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage CPT1B, ACSS2, CERS2 ALDH1A1 139/4885MGLL 3197/4885POLB 3296/4885

“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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