SCHEMBL4386636

SCHEMBL4386636

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.40
CNR1 P21554 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4384221 0.89 HPGD (0.40) GAAHPGDTRPV1MAPTPOLB
SCHEMBL4396284 0.84 CNR2 (0.40) CNR2GAACNR1SMN1; SMN2
SCHEMBL4386191 0.81 POLB (0.42) CNR2MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL4387388 0.80 ESR1 (0.44) CNR2HPGDPOLBSMN1; SMN2
SCHEMBL4389162 0.79 L3MBTL1 (0.41) CNR2GAATRPV1MAPTPOLB
SCHEMBL4386943 0.78 ESR1 (0.42) CNR2HPGDPOLBSMN1; SMN2
SCHEMBL4384780 0.77 CNR2 (0.40) CNR2HPGDCNR1MAPTPOLB
SCHEMBL4379268 0.76 PTGIR (0.42) MAPTLMNASMN1; SMN2
SCHEMBL4387546 0.74 HPGD (0.42) HPGDLMNA
SCHEMBL4386674 0.74 ESR1 (0.39) CNR2POLBSMN1; SMN2

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 1898/4885GAA 3950/4885HPGD 3238/4885

“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.