SCHEMBL4378910

SCHEMBL4378910

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2cccc(C(=O)N(C)C)c2)c1CC1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
LRRK2 Q5S007 1/20 0.38
IGF1R P08069 1/20 0.37
PTGER1 P34995 6/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4379576 1.00 BRD4 (0.41) BRD4LRRK2IGF1RPTGER1NPC1
SCHEMBL4380949 0.91 PTGER1 (0.46) PTGER1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4379396 0.91 PTGER1 (0.46) PTGER1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4378114 0.90 KDM4E (0.39) PTGER1MRGPRX4CYP2C9
SCHEMBL4382301 0.90 KDM4E (0.39) PTGER1MRGPRX4CYP2C9
SCHEMBL4381083 0.88 MEN1 (0.46) BRD4PTGER1NPC1MAPTHPGD
SCHEMBL4379879 0.88 MEN1 (0.46) BRD4PTGER1NPC1MAPTHPGD
SCHEMBL4379485 0.86 NPC1 (0.47) BRD4NPC1ALDH1A1MAPTHPGD
SCHEMBL4386156 0.86 ESR1 (0.36) PTGER1MAPTL3MBTL1
SCHEMBL4386419 0.86 ESR1 (0.36) PTGER1MAPTL3MBTL1

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 BRD4 239/4885LRRK2 1952/4885IGF1R 196/4885

“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.