SCHEMBL4386191

SCHEMBL4386191

CCc1c(O)cc(O)c(-c2ccccc2)c1CCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DPP4 P27487 3/20 0.40
CNR2 P34972 1/20 0.39
NR4A2 P43354 1/20 0.38
USP7 Q93009 2/20 0.36
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IKBKB O14920 1/20 0.35
HTT P42858 1/20 0.35
GPR35 Q9HC97 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4378125 0.84 CNR2 (0.43) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4387022 0.82 CNR2 (0.44) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4387388 0.82 ESR1 (0.44) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4389162 0.81 L3MBTL1 (0.41) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4386636 0.81 CNR2 (0.45) POLBSMN1; SMN2CNR2MAPTL3MBTL1
SCHEMBL4384221 0.80 HPGD (0.40) POLBMAPTKDM4E
SCHEMBL4386943 0.79 ESR1 (0.42) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4387542 0.78 ESR1 (0.41) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4394020 0.77 CNR2 (0.40) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4379007 0.76 ADORA2A (0.44) POLBRECQLSMN1; SMN2ESR1ESR2

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 POLB 3913/4885RECQL 1489/4885SMN1; SMN2 4471/4885

“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.