SCHEMBL98674

SCHEMBL98674

CC(C)(C)OC(=O)C=Cc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DBH P09172 1/20 0.40
POLB P06746 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39

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
SCHEMBL98673 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL99377 0.91 NR1H4 (0.43) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL99378 0.91 NR1H4 (0.43) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL18290897 0.87 IP6K1 (0.49) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL99627 0.82 MAPT (0.54) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL99626 0.82 MAPT (0.54) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL101029 0.82 NR1H4 (0.44) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL18323016 0.82 BACE1 (0.47) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL101030 0.82 NR1H4 (0.44) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL16486673 0.82 BACE1 (0.47) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2

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-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 ALDH1A1 1896/4885L3MBTL1 4610/4885MAPT 2879/4885

“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.