SCHEMBL12401719

SCHEMBL12401719

COC(=O)C1=C(O)c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL27617877 0.85 ALDH1A1 (0.56) KDM4EALDH1A1HPGDL3MBTL1SLC6A2
SCHEMBL20444060 0.83 HSD11B1 (0.50) KDM4EALDH1A1HPGDL3MBTL1SLC6A2
SCHEMBL12255634 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDL3MBTL1SLC6A2
SCHEMBL12401716 0.78 SRD5A2 (0.49) KDM4EALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL21557572 0.78 NR4A2 (0.38) ALDH1A1L3MBTL1CYP1A2TSHRGAA
SCHEMBL8028626 0.76 FGFR1 (0.44) KDM4EALDH1A1HPGDL3MBTL1SLC6A2
SCHEMBL29783245 0.75 CDK1 (0.51) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL25556206 0.75 CDK1 (0.51) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14274026 0.75 CHRM2 (0.53) KDM4EALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL12255635 0.74 CYP1A2 (0.40) KDM4EALDH1A1HPGDL3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885ALDH1A1 1443/4885HPGD 565/4885

“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.