SCHEMBL4381848

SCHEMBL4381848

CCOc1cccc(-c2c(O)cc(O)c(CC)c2CCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
CREBBP Q92793 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ERN1 O75460 1/20 0.36
PTGS2 P35354 1/20 0.36
FYN P06241 2/20 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
SCHEMBL4385019 0.90 HDAC4 (0.43) CYP1A2CYP2C19TP53ERN1SMN1; SMN2
SCHEMBL4379468 0.85 ESR1 (0.44) CYP2D6CYP1A2CYP2C19CYP3A4
SCHEMBL4382339 0.84 RXRA (0.43) BRD4BRD2CREBBPCYP2D6CYP1A2
SCHEMBL4385900 0.84 CNR2 (0.40) ALDH1A1MEN1HPGDKMT2A
SCHEMBL4384914 0.84 ESR1 (0.38) SMN1; SMN2RECQL
SCHEMBL4388187 0.83 HDAC4 (0.39) CYP1A2CYP2C19MAPTGAATP53
SCHEMBL4387542 0.83 ESR1 (0.41) CYP1A2CYP2C19KDM4ETP53CYP3A4
SCHEMBL4381380 0.79 ERN1 (0.44) ERN1
SCHEMBL4384445 0.79 HDAC4 (0.43) MAPK1ERN1
SCHEMBL4388525 0.78 ESR1 (0.41) CYP2D6CYP1A2CYP2C19CYP3A4

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 239/4885BRD2 587/4885CREBBP 275/4885

“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.