SCHEMBL4379396

SCHEMBL4379396

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.46
MRGPRX4 Q96LA9 7/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL4380949 1.00 PTGER1 (0.46) PTGER1MRGPRX4CYP2C9MEN1NPC1
SCHEMBL4378114 0.93 KDM4E (0.39) PTGER1MRGPRX4CYP2C9
SCHEMBL4382301 0.93 KDM4E (0.39) PTGER1MRGPRX4CYP2C9
SCHEMBL4381083 0.91 MEN1 (0.46) PTGER1MRGPRX4MEN1NPC1HPGD
SCHEMBL4379879 0.91 MEN1 (0.46) PTGER1MRGPRX4MEN1NPC1HPGD
SCHEMBL4379576 0.91 BRD4 (0.41) PTGER1MRGPRX4CYP2C9NPC1HPGD
SCHEMBL4378910 0.91 BRD4 (0.41) PTGER1MRGPRX4CYP2C9NPC1HPGD
SCHEMBL4379485 0.89 NPC1 (0.47) MRGPRX4MEN1NPC1TP53HPGD
SCHEMBL4386419 0.89 ESR1 (0.36) PTGER1
SCHEMBL4386156 0.89 ESR1 (0.36) PTGER1

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 PTGER1 3751/4885MRGPRX4 1374/4885CYP2C9 211/4885

“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.