SCHEMBL4394924

SCHEMBL4394924

CCc1c(O)cc(O)c(-c2ccccc2)c1CC=C(C(=O)OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACHE P22303 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33

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
SCHEMBL4390010 0.79 EGFR (0.39) DHODHCYP2C19HDAC3HDAC4HDAC1
SCHEMBL4389605 0.78 HPGD (0.39) SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL4380942 0.78 L3MBTL1 (0.43) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4394020 0.73 CNR2 (0.40) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4387542 0.72 ESR1 (0.41) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4386191 0.71 POLB (0.42) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4387388 0.70 ESR1 (0.44) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4385993 0.70 L3MBTL1 (0.48) CNR2SMN1; SMN2CYP2C19PDE4BPDE4A
SCHEMBL4389478 0.69 CNR2 (0.39) CNR2POLBRECQLSMN1; SMN2ESR1
SCHEMBL4386231 0.68 ESR1 (0.38) CNR2POLBRECQLSMN1; SMN2ESR1

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 CNR2 1898/4885POLB 3913/4885RECQL 1489/4885

“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.