SCHEMBL4240366

SCHEMBL4240366

CCC(C)OC(=O)C(Cc1c[nH]c2ccncc12)(NC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.37
HTR6 P50406 2/20 0.37
HDAC1 Q13547 1/20 0.34
TACR3 P29371 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
TACR1 P25103 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 1/20 0.32
NMBR P28336 1/20 0.32
NAMPT P43490 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
SCHEMBL4234106 0.93 GPR84 (0.39) GPR84TACR3ITGB2ICAM1ITGAL
SCHEMBL4236247 0.81 ALDH1A1 (0.34) HDAC1TACR3ITGB2ICAM1ITGAL
SCHEMBL3944859 0.81 ALDH1A1 (0.49) GPR84HTR6HDAC1KDM4EALDH1A1
SCHEMBL2036829 0.79 LRRK2 (0.34) ALDH1A1RECQL
SCHEMBL4640443 0.76 GPR84 (0.39) GPR84ALDH1A1RECQLTACR1
SCHEMBL6044676 0.74 KDM4E (0.45) TACR3KDM4EALDH1A1RECQLTACR1
SCHEMBL3944082 0.73 ALDH1A1 (0.49) GPR84KDM4EALDH1A1RECQLMEN1
SCHEMBL4705073 0.72 ALDH1A1 (0.43) KDM4EALDH1A1RECQLMEN1MAPT
SCHEMBL4063606 0.70 MEN1 (0.44) ALDH1A1RECQLMEN1POLBKMT2A
SCHEMBL589165 0.70 ALDH1A1 (0.47) KDM4EALDH1A1RECQLMEN1KMT2A

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 GPR84 270/4885HTR6 1411/4885HDAC1 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.