SCHEMBL4381280

SCHEMBL4381280

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccc(F)c(C)c2)c1CC1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)O1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
ERN1 O75460 1/20 0.33
AR P10275 1/20 0.33
KDM1A O60341 4/20 0.33
FFAR1 O14842 4/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGER1 P34995 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
GRM2 Q14416 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSA P10619 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
SCHEMBL4387026 1.00 MCL1 (0.34) MCL1ERN1ARKDM1AFFAR1
SCHEMBL4380968 0.93 AR (0.36) MCL1ERN1ARKDM1AHTR1A
SCHEMBL4386470 0.93 AR (0.36) MCL1ERN1ARKDM1AHTR1A
SCHEMBL4382673 0.91 ERN1 (0.33) MCL1ERN1ARKDM1AHTR1A
SCHEMBL4388737 0.91 ERN1 (0.33) MCL1ERN1ARKDM1AHTR1A
SCHEMBL4381387 0.87 MAPK14 (0.35) MCL1PTGER1MAPTMAPK1TDP1
SCHEMBL4384038 0.87 MAPK14 (0.35) MCL1PTGER1MAPTMAPK1TDP1
SCHEMBL4385084 0.87 MAPK14 (0.35) MCL1PTGER1MAPTMAPK1TDP1
SCHEMBL4392462 0.87 C5AR1 (0.37) KDM1AHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6025486 0.87 C5AR1 (0.37) KDM1AHTR1ASLC6A2SLC6A4SLC6A3

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 MCL1 2390/4885ERN1 1073/4885AR 221/4885

“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.