SCHEMBL4387546

SCHEMBL4387546

CCc1c(O)cc(O)c(-c2ccccc2)c1CCCOCC(=O)NCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SPR P35270 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TP53 P04637 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL4396284 0.91 CNR2 (0.40) TSHRALDH1A1RECQLKDM4ECYP3A4
SCHEMBL4240306 0.86 CNR2 (0.40) CYP2C19TSHRRECQLCYP2D6SLC6A2
SCHEMBL4381319 0.83 HPGD (0.43) HPGDCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4377955 0.83 CNR2 (0.38) RECQLMEN1KMT2ATP53
SCHEMBL4387022 0.82 CNR2 (0.44) RECQLKDM4E
SCHEMBL4395152 0.80 CNR2 (0.40) HPGDALDH1A1RECQLKDM4ELMNA
SCHEMBL4389478 0.80 CNR2 (0.39) CYP2C19RECQLKDM4ENPC1RAB9A
SCHEMBL4379851 0.78 CNR2 (0.38) RECQLMEN1KMT2A
SCHEMBL4387542 0.78 ESR1 (0.41) CYP1A2CYP2C9CYP2C19RECQLKDM4E
SCHEMBL4391973 0.77 CNR2 (0.39) TSHRALDH1A1RECQL

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 HPGD 3238/4885CYP1A2 1290/4885CYP2C9 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.