SCHEMBL4386691

SCHEMBL4386691

COCOc1cc(CC(=O)OC)c(-c2cccc3c2oc2ccccc23)c(OCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HDAC8 Q9BY41 3/20 0.40
KMT2A Q03164 1/20 0.36
ALOX5 P09917 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EDNRB P24530 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4386175 0.84 L3MBTL1 (0.40) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL4386409 0.80 ESR1 (0.39) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL4394443 0.79 PDK2 (0.39) KMT2AALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4386489 0.78 KDM4E (0.54) KDM4EHDAC8KMT2AALOX5ALDH1A1
SCHEMBL2866502 0.77 EGFR (0.43) KDM4EHDAC8KMT2AALDH1A1HPGD
SCHEMBL4384140 0.75 EGFR (0.46) KDM4EHDAC8KMT2AALDH1A1MAPT
SCHEMBL4388923 0.73 CCNC (0.41) SMN1; SMN2
SCHEMBL4382066 0.73 ALDH1A1 (0.36) KDM4EHDAC8KMT2AALDH1A1HPGD
SCHEMBL4384801 0.73 MTNR1A (0.37) KDM4EHDAC8KMT2AALDH1A1MAPT
SCHEMBL4378484 0.73 FFAR4 (0.38) KDM4EALDH1A1

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 KDM4E 3223/4885HDAC8 94/4885KMT2A 3994/4885

“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.