SCHEMBL4388220

SCHEMBL4388220

COC(=O)C(c1cc(O)cc(O)c1)c1ccc(CN)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NQO1 P15559 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALOX5 P09917 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL4389560 0.83 MTNR1A (0.38) ESR2ESR1KDM4EALDH1A1MAPT
SCHEMBL4379025 0.81 TDP1 (0.32) L3MBTL1
SCHEMBL4394954 0.78 HDAC1 (0.44) KDM4EALDH1A1MAPTHSD17B10POLB
Diethylamine SCHEMBL4392308 0.76 CA12 (0.35) ESR2ESR1ALDH1A1NQO1HSP90AB1
SCHEMBL4384861 0.71 ALDH1A1 (0.38) ESR2ESR1KDM4EALDH1A1MAPT
SCHEMBL4379090 0.69 KDM4E (0.32) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL4387179 0.67 CA5A (0.44) ESR2ESR1ALDH1A1MAPTL3MBTL1
SCHEMBL4382503 0.66 MTNR1A (0.37) ALDH1A1POLBKMT2AHTTSMN1; SMN2
SCHEMBL4387412 0.65 EDNRA (0.59) KDM4EALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL20767168 0.65 GAA (0.40) KDM4EALDH1A1MAPTPOLBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P ESR2 1033/4885ESR1 610/4885KDM4E 3223/4885

“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.