SCHEMBL7454040

SCHEMBL7454040

CC(=O)Oc1cc2oc(=O)cc(C)c2cc1Br

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.78
ALDH1A1 P00352 13/20 0.78
GAA P10253 8/20 0.78
GLA P06280 7/20 0.78
HSD17B10 Q99714 7/20 0.78
HPGD P15428 6/20 0.78
MAPT P10636 4/20 0.78
CASP1 P29466 4/20 0.78
CASP7 P55210 4/20 0.78
HSP90AA1 P07900 1/20 0.78
HSP90AB1 P08238 1/20 0.78
ALPG P10696 1/20 0.78
ALOX15 P16050 1/20 0.78
ALOX12 P18054 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
GFER P55789 1/20 0.71
TSHR P16473 1/20 0.53
MCL1 Q07820 4/20 0.50
AKR1B1 P15121 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL6266846 0.88 KDM4E (1.00) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL7452974 0.86 KDM4E (0.58) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL3724696 0.83 KDM4E (0.78) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL7460975 0.79 KDM4E (0.50) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL13609429 0.78 KDM4E (0.49) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL12055355 0.77 KDM4E (0.48) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL580501 0.75 ALDH1A1 (0.74) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL335474 0.74 KDM4E (1.00) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL29651337 0.74 KDM4E (1.00) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL6268138 0.72 KDM4E (0.71) KDM4EALDH1A1GAAGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254955-A1 A method for regulating gene expression RIKEN (JP) 2002-11-06 EP disclosed
US-6472541-B2 HALOGENATED- COUMARIN, QUINOLINE-2-ONE, XANTHENE, THIOXANTHENE, SELENOXANTHENEN, OR ANTHRACENE DERIVATIVES; IRRADIATING TO CONTROL THE RELEASE OF THE SOMPOUND SPATIALLY AND TEMPORALLY TO PROBE ITS BIOLOGICAL EFFECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-29 US disclosed
US-20020155606-A1 Regulating gene expression in preferential cells; obtain cells, incubate with disruptive agent and expose to ultraviolet radiation, monitor gene expression RIKEN (JP) 2002-10-24 US disclosed
EP-1151350-A4 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES UNIV CALIFORNIA (US) 2002-08-21 EP disclosed
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-02-07 US disclosed
EP-1151350-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES The Regents of the University of California (US) 2001-11-07 EP disclosed
WO-2000031588-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-02 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 (2 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-20020155606-A1 Regulating gene expression in preferential cells; obtain cells, incubate with disruptive agent and expose to ultraviolet radiation, monitor gene expression ERCC2, DCLRE1B, DDB1 KDM4E 3853/4885ALDH1A1 2243/4885GAA 1272/4885
US-20020016472-A1 PROTECTING GROUPS WITH INCREASED PHOTOSENSITIVITIES ERCC4, XPA, GPX4 KDM4E 4063/4885ALDH1A1 748/4885GAA 3443/4885

“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.