SCHEMBL4667152

SCHEMBL4667152

NC(=O)c1ccccc1C[CH]CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
METAP2 P50579 1/20 0.39
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.36
ADRA1D P25100 1/20 0.36
SIRT1 Q96EB6 2/20 0.35
GAA P10253 1/20 0.35
CTNNB1 P35222 1/20 0.35
ATM Q13315 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL176890 0.86 BCAT2 (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL3593547 0.82 KDM4E (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL4221247 0.81 KDM4E (0.42) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL1928794 0.81 KDM4E (0.42) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL3727463 0.79 ADRA1D (0.45) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL4553805 0.79 KDM4E (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL8930563 0.78 KDM4E (0.47) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL630666 0.78 KDM4E (0.47) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL83923 0.77 KDM4E (0.50) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL630127 0.77 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US claimed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO claimed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP claimed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR BCAT2 174/4885KDM4E 190/4885ALDH1A1 1026/4885

“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.