SCHEMBL269847

SCHEMBL269847

COc1c(C)cc(C=O)c(N)c1CCl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 5/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PRKDC P78527 1/20 0.32
TRIM24 O15164 1/20 0.30
TYR P14679 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL268809 0.89 ALDH1A1 (0.33) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL268342 0.82
SCHEMBL267180 0.79
SCHEMBL267265 0.79 ERN1 (0.40) ALDH1A1KDM4EERN1
SCHEMBL268157 0.75 ERN1 (0.40) ERN1
SCHEMBL268061 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1049768 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL7651200 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL13894661 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL21558308 0.70 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRTDP1ERN1

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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 ALDH1A1 3022/4885KDM4E 4468/4885TSHR 729/4885

“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.