SCHEMBL4386233

SCHEMBL4386233

COCOc1cc(CC(=O)OC)c(-c2ccc(Oc3ccccc3)cc2)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
ACLY P53396 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
GSTP1 P09211 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL4384140 0.92 EGFR (0.46) EGFRACLYCYP1A2SMN1; SMN2HDAC3
SCHEMBL2866502 0.92 EGFR (0.43) EGFRACLYCYP1A2CYP2C19SMN1; SMN2
SCHEMBL4378484 0.91 FFAR4 (0.38) EGFRACLYPPARGPPARDPPARA
SCHEMBL4390545 0.89 ROR1 (0.43) EGFRCYP2C9CYP2C19HPGDHDAC3
SCHEMBL4388923 0.85 CCNC (0.41) EGFRACLYPPARGSMN1; SMN2ERN1
SCHEMBL4378269 0.84 EGFR (0.38) EGFRACLYHDAC3HDAC4HDAC1
SCHEMBL4385696 0.83 MEN1 (0.43) EGFRPPARDSMN1; SMN2KDM4EMEN1
SCHEMBL4393717 0.81 EGFR (0.41) EGFRFFAR1KDM4EMEN1ALDH1A1
SCHEMBL4386409 0.80 ESR1 (0.39) EGFRCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL4381523 0.79 ALDH1A1 (0.47) CYP2C9CYP2C19SMN1; SMN2HPGDKDM4E

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 EGFR 624/4885ACLY 2383/4885CYP1A2 1290/4885

“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.