SCHEMBL4388315

SCHEMBL4388315

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CCOCC(O)COCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
HSP90AB1 P08238 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 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
SCHEMBL4381423 0.88 HMGCR (0.36) HMGCRHSP90AB1CA1CA2CA7
SCHEMBL4382835 0.83 CYP4F2 (0.43) HMGCRTDP1MGAMGAASI
SCHEMBL4381851 0.81 ABCB1 (0.45) KDM4EALDH1A1MGAMGAASI
SCHEMBL4394187 0.80 CYP1A2 (0.39) KDM4EALDH1A1LMNA
SCHEMBL4383767 0.79 ESR1 (0.35) TDP1MAPTSMN1; SMN2
SCHEMBL4380287 0.79 AR (0.38)
SCHEMBL4390510 0.79 HMGCR (0.36) HMGCRMAPK14C5AR1
SCHEMBL4387419 0.78 EGFR (0.38) KDM4ETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL4384766 0.78 HMGCR (0.41) HMGCRTDP1MGAMGAASI
SCHEMBL4384147 0.76 ALDH1A1 (0.34) TDP1ALDH1A1MAPK14

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 HMGCR 2948/4885HSP90AB1 1/4885CA1 4673/4885

“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.