SCHEMBL4390545

SCHEMBL4390545

COCOc1cc(CC(=O)OC)c(-c2ccc(OC)cc2)c(OCOC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.43
HDAC8 Q9BY41 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
BACE1 P56817 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
PDE3A Q14432 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL4384140 0.89 EGFR (0.46) HDAC8ALDH1A1KDM4EMAPTEGFR
SCHEMBL2866502 0.89 EGFR (0.43) ROR1HDAC8ALDH1A1HPGDKDM4E
SCHEMBL4386233 0.89 EGFR (0.39) HDAC8ALDH1A1HPGDKDM4EMAPT
SCHEMBL4378269 0.88 EGFR (0.38) ROR1HDAC8ALDH1A1MAPTEGFR
SCHEMBL4385696 0.88 MEN1 (0.43) KDM4EEGFR
SCHEMBL4388923 0.85 CCNC (0.41) CYP11B1CYP11B2EGFR
SCHEMBL4381523 0.83 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL2859363 0.82 NPC1 (0.43) ROR1HDAC8ALDH1A1HPGDKDM4E
SCHEMBL4386409 0.81 ESR1 (0.39) ROR1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4390340 0.81 CFD (0.38) ALDH1A1MAPTMAPK1EGFR

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 ROR1 367/4885HDAC8 94/4885ALDH1A1 3520/4885

“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.