SCHEMBL3949693

SCHEMBL3949693

COC(=O)CCc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10782766 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL498428 0.86 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6986744 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31090163 0.85 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30201064 0.84 POLB (0.50) ALDH1A1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL5416433 0.84 POLB (0.50) ALDH1A1SMN1; SMN2KMT2AGAAMAPT
SCHEMBL12066101 0.84 RAB9A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4850663 0.83 LMNA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14565801 0.83 LMNA (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1644381 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285908-B9 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-22 EP disclosed
EP-1285908-B1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES KYORIN SEIYAKU KK (JP) 2008-09-10 EP disclosed
US-7049342-B2 Substituted phenylpropionic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-05-23 US disclosed
US-20030187068-A1 Substituted phenylpropionic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 US disclosed
EP-1285908-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-02-26 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-20030187068-A1 Substituted phenylpropionic acid derivatives PPARA, PPARG, PPARD ALDH1A1 429/4885SMN1; SMN2 4657/4885MEN1 4876/4885

“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.