SCHEMBL4236247

SCHEMBL4236247

CCC(C)OC(=O)C(Cc1c[nH]c2cccnc12)(NC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
HDAC1 Q13547 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 2/20 0.32
TACR3 P29371 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA6 Q16445 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
SCHEMBL4240366 0.81 GPR84 (0.37) ALDH1A1RECQLHDAC1KDM4EKMT2A
SCHEMBL4234106 0.81 GPR84 (0.39) ALDH1A1RECQLKDM4EKMT2ATACR3
SCHEMBL3933759 0.81 ALDH1A1 (0.52) ALDH1A1RECQLHDAC1MTNR1AMTNR1B
SCHEMBL2036829 0.79 LRRK2 (0.34) ALDH1A1RECQLMTNR1A
SCHEMBL4705073 0.74 ALDH1A1 (0.43) ALDH1A1RECQLMTNR1AMTNR1BKDM4E
SCHEMBL4063606 0.72 MEN1 (0.44) ALDH1A1RECQLKMT2AMEN1POLB
SCHEMBL6044676 0.72 KDM4E (0.45) ALDH1A1RECQLALOX15KDM4EKMT2A
SCHEMBL4640443 0.72 GPR84 (0.39) ALDH1A1RECQLMTNR1AMTNR1B
SCHEMBL4522754 0.71 CYP1A2 (0.42) ALDH1A1RECQLKDM4EKMT2AMEN1
SCHEMBL589165 0.70 ALDH1A1 (0.47) ALDH1A1RECQLKDM4EKMT2AMEN1

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 1 patent. 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

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 2574/4885HDAC1 1270/4885

“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.