SCHEMBL4640374

SCHEMBL4640374

C#CCOc1ccc(I)cc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTR2A P28223 1/20 0.45
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
CYP2B6 P20813 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PDE4B Q07343 2/20 0.39
MAPT P10636 3/20 0.38
HSP90AA1 P07900 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL16914654 0.89 MAOB (0.48) MAOAMAOBHTR2AMDH1MDH2
SCHEMBL25015012 0.83 MAPT (0.48) ALDH1A1HTTSMN1; SMN2MAPTHSP90AA1
SCHEMBL8160004 0.83 MAOB (0.52) MAOAMAOBHTR2AMDH1MDH2
SCHEMBL15273702 0.83 MAOA (0.45) MAOAMAOBHTR2AMDH1MDH2
SCHEMBL14027049 0.83 HPGD (0.50) MAOAMAOBHTR2AMDH1MDH2
SCHEMBL2801933 0.82 MAOB (0.44) MAOAMAOBHTR2AMDH1MDH2
SCHEMBL24962415 0.81 MAPT (0.49) ALDH1A1HTTSMN1; SMN2MAPTHSP90AA1
SCHEMBL22164333 0.79 PTGDR2 (0.49) ALDH1A1HTTSMN1; SMN2CYP2C19KMT2A
SCHEMBL13392322 0.79 ALDH1A1 (0.45) MDH1MDH2ALDH1A1HTTSMN1; SMN2
SCHEMBL4667829 0.79 MAPT (0.45) ALDH1A1HTTSMN1; SMN2MAPTHSP90AA1

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 MAOA 107/4885MAOB 119/4885HTR2A 20/4885

“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.