SCHEMBL3944859

SCHEMBL3944859

CCOC(=O)C(Cc1c[nH]c2ccncc12)(NC(C)=O)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
HTR6 P50406 2/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 3/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3944082 0.91 ALDH1A1 (0.49) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL13911074 0.84 ALDH1A1 (0.60) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL17596482 0.81 ALDH1A1 (0.53) ALDH1A1RECQLHTR6MAPK1PKM
SCHEMBL4240366 0.81 GPR84 (0.37) ALDH1A1RECQLHTR6KDM4EMEN1
SCHEMBL7018461 0.80 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL19766758 0.80 MTNR1A (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3933759 0.78 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL7018227 0.77 ALDH1A1 (0.51) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL2036826 0.75 ALDH1A1 (0.48) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL5496699 0.75 ALDH1A1 (0.74) ALDH1A1RECQLMAPK1PKMKDM4E

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 ALDH1A1 388/4885RECQL 2574/4885HTR6 1411/4885

“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.