SCHEMBL4389605

SCHEMBL4389605

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CC=C(C(=O)OC)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK14 Q16539 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
USP2 O75604 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
EDNRA P25101 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGER1 P34995 1/20 0.36

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
SCHEMBL4390010 0.88 EGFR (0.39) HDAC1HDAC8HDAC6KDM4EMAPT
SCHEMBL4385645 0.83 MAPK14 (0.41) HPGDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4380278 0.82 HPGD (0.42) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL4383171 0.80 PTGER1 (0.48) HPGDSMN1; SMN2NPC1RAB9ABRD4
SCHEMBL4394924 0.78 CNR2 (0.38) SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL4384794 0.78 PLA2G2A (0.41) HPGDSMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL4386680 0.77 EGFR (0.38) HDAC1HDAC8HDAC6KDM4EMAPT
SCHEMBL4382835 0.77 CYP4F2 (0.43) HPGDSMN1; SMN2NPC1RAB9AMAPK14
SCHEMBL4381086 0.75 ALDH1A1 (0.42) RAB9ALMNA
SCHEMBL4385840 0.75 MAPT (0.39) MAPK14MAPTPTGER1

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 HPGD 3238/4885SMN1; SMN2 4471/4885NPC1 1090/4885

“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.