SCHEMBL4386873

SCHEMBL4386873

CCc1c(O)cc(O)c(-c2ccccc2)c1Cc1nn(CCO)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 2/20 0.37
TRPA1 O75762 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
PDE2A O00408 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL4394356 0.89 NLRP3 (0.36) POLBRECQLSMN1; SMN2NLRP3TRPA1
SCHEMBL4380441 0.88 MTNR1B (0.37) ESR1GRIN1
SCHEMBL4386554 0.81 ESR1 (0.35) NLRP3TRPA1ESR1ESR2ALDH1A1
SCHEMBL4379288 0.76 NOTUM (0.41) POLBRECQLSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4387388 0.70 ESR1 (0.44) POLBRECQLSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4380795 0.69 FAAH (0.38) SMN1; SMN2TRPA1CYP1A2CYP3A4CYP2C9
SCHEMBL4386943 0.68 ESR1 (0.42) POLBRECQLSMN1; SMN2ESR1ESR2
SCHEMBL4392464 0.66 GCGR (0.37) POLBRECQLSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4387540 0.65 ESR1 (0.37) POLBRECQLSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4393955 0.65 PTGIR (0.39) SMN1; SMN2CYP2C9KDM4EALDH1A1

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.