SCHEMBL11999809

SCHEMBL11999809

COc1cc(C=O)c(OC)c(Br)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.55
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 4/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL20661182 0.86 PRKDC (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL30740905 0.86 PRKDC (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL12659274 0.85 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL3152057 0.85 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1635784 0.85 ALDH1A1 (0.57) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL5146192 0.83 ALDH1A1 (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL11999811 0.81 ERN1 (0.60) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL11999810 0.78 PRKDC (0.54) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL2743635 0.78 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1134649 0.78 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB PRKDC 450/4885ALDH1A1 1763/4885KDM4E 854/4885

“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.