SCHEMBL4387756

SCHEMBL4387756

CCc1c(OCOC)cc(OCOC)c(-c2ccco2)c1CCOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 7/20 0.34
HPGD P15428 6/20 0.34
TSHR P16473 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 8/20 0.33
KDM4E B2RXH2 7/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
PLAU P00749 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX3 P56373 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4381067 0.85 PLAU (0.31) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL4381616 0.85 KDM4E (0.30) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL4384082 0.80 L3MBTL1 (0.34) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4379642 0.80 EGFR (0.37) MAPTKDM4ETP53
SCHEMBL4389503 0.79 KDM4C (0.38) MEN1KMT2ARAB9AL3MBTL1NPC1
SCHEMBL4381084 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2
SCHEMBL4379978 0.75 PLAU (0.33) ALDH1A1SMN1; SMN2MAPTLMNAPLAU
SCHEMBL4382068 0.74 EGFR (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1TP53
SCHEMBL2857280 0.74 EGFR (0.33)
SCHEMBL2862935 0.73 FYN (0.40)

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 ALDH1A1 3520/4885HSD17B10 405/4885HPGD 3238/4885

“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.