SCHEMBL5434503

SCHEMBL5434503

O=[N+]([O-])c1ccc(C=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.66
ESR2 Q92731 1/20 0.66
FBP1 P09467 1/20 0.53
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
CES1 P23141 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL5685314 1.00 ESR1 (0.66) ESR1ESR2FBP1PTGS2PTGS1
SCHEMBL19439752 1.00 ESR1 (0.66) ESR1ESR2FBP1PTGS2PTGS1
SCHEMBL2685237 0.86 CES2 (0.61) ESR1FBP1PTGS2CES1TDP1
SCHEMBL2685238 0.86 CES2 (0.61) ESR1FBP1PTGS2CES1TDP1
SCHEMBL27942881 0.84 BCHE (0.59) FBP1PTGS2CES1TDP1ALDH1A1
SCHEMBL9139326 0.83 FBP1 (0.58) FBP1PTGS2PTGS1CES1CA1
SCHEMBL9135315 0.83 ESR1 (0.68) ESR1ESR2FBP1PTGS2PTGS1
SCHEMBL9139328 0.83 FBP1 (0.58) FBP1PTGS2PTGS1CES1CA1
SCHEMBL9135312 0.83 ESR1 (0.68) ESR1ESR2FBP1PTGS2PTGS1
SCHEMBL12523909 0.82 FBP1 (0.49) ESR1ESR2FBP1CES1CA1

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-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 US disclosed
US-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 US disclosed
US-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 US disclosed
EP-1636249-A1 TARGET-ORIENTED CHEMOTHERAPY FOR TREATING TUMORS OF THE SEXUAL ORGANS TRIN GmbH (CH) 2006-03-22 EP disclosed
WO-2004106358-A1 TARGET-ORIENTED CHEMOTHERAPY FOR TREATING TUMORS OF THE SEXUAL ORGANS TRIN GMBH (CH) 2004-12-09 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-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs GPER1, SHBG, GNRHR ESR1 4/4885ESR2 5/4885FBP1 3493/4885

“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.