SCHEMBL4640366

SCHEMBL4640366

CCOC(=O)C(Cc1c[nH]c2c(F)cc(F)cc12)(NC(C)=O)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
NOTUM Q6P988 1/20 0.34
NQO2 P16083 1/20 0.32

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
SCHEMBL4642372 0.85 GPR84 (0.50) ALDH1A1GPR84LMNAMTNR1AMTNR1B
SCHEMBL4641342 0.80 GPR84 (0.47) ALDH1A1GPR84PKMKDM4ELMNA
SCHEMBL13911074 0.75 ALDH1A1 (0.60) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL7018461 0.74 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL19766758 0.73 MTNR1A (0.56) ALDH1A1GPR84KDM4EMAPTMEN1
SCHEMBL17596482 0.72 ALDH1A1 (0.53) ALDH1A1RECQLGPR84MAPK1PKM
SCHEMBL3944082 0.72 ALDH1A1 (0.49) ALDH1A1RECQLGPR84MAPK1PKM
SCHEMBL3944859 0.72 ALDH1A1 (0.49) ALDH1A1RECQLGPR84MAPK1PKM
SCHEMBL22204299 0.71 ALDH1A1 (0.54) ALDH1A1RECQLMAPK1PKMKDM4E
SCHEMBL4736751 0.71 SCN9A (0.50) ALDH1A1GPR84KDM4EMAPTMEN1

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ALDH1A1 3513/4885RECQL 439/4885GPR84 304/4885

“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.