SCHEMBL10033359

SCHEMBL10033359

Cc1cc(C)c(O)c(CN(CCO)CCN(CC(=O)O)Cc2cc(C)cc(C)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
ERBB2 P04626 3/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
CDK1 P06493 1/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
DRD3 P35462 2/20 0.33
PNP P00491 1/20 0.33

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
SCHEMBL5265431 0.93 EGFR (0.43) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL10360605 0.89 EGFR (0.44) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL12749593 0.83 TDP1 (0.38) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL10033357 0.82 EGFR (0.37) EGFRERBB2KDM4ETDP1EYA2
SCHEMBL10809043 0.81 ALDH1A1 (0.46) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL11819242 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL30487695 0.79 KDM4E (0.42) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL10066207 0.78 CYP2C19 (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL12749508 0.77 ALDH1A1 (0.37) EGFRERBB2ALDH1A1KDM4EHSD17B10
SCHEMBL18359692 0.77 ALDH1A1 (0.48) EGFRERBB2ALDH1A1KDM4EHSD17B10

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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 EGFR 489/4885ERBB2 2816/4885ALDH1A1 3513/4885

“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.