SCHEMBL13580974

SCHEMBL13580974

CC(C)(C)OCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 3/20 0.40
S1PR4 O95977 1/20 0.40
PKM P14618 1/20 0.39
TXNRD1 Q16881 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1242500 0.87 MAPT (0.53) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1241631 0.87 SMN1; SMN2 (0.55) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1239777 0.85 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL13581035 0.85 RAB9A (0.42) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13581014 0.84 SMN1; SMN2 (0.40) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL13581020 0.84 SMN1; SMN2 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL15434087 0.84 SMN1; SMN2 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12952974 0.83 PRSS1 (0.43) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13581243 0.82 RAB9A (0.45) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13581263 0.81 PRSS1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ALDH1A1 1168/4885HPGD 577/4885RAB9A 3183/4885

“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.