SCHEMBL4386523

SCHEMBL4386523

CCOc1cccc(-c2c(OC(=O)OC)cc(OC(=O)OC)c(CC)c2CCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
DHODH Q02127 3/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4395183 0.87 SMN1; SMN2 (0.38) MAPTGAACYP1A2CYP2C19DHODH
SCHEMBL4386639 0.86 ESR1 (0.38) MAPTALDH1A1
SCHEMBL4384143 0.86 KDM4E (0.36) CYP2C19ACACBACACAKDM4EHPGD
SCHEMBL4384177 0.86 CNR2 (0.35) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL4387632 0.84 ERN1 (0.39)
SCHEMBL4385454 0.81 ALDH1A1 (0.34) MAPTFFAR1MEN1KMT2AKDM4E
SCHEMBL4385095 0.81 ESR1 (0.36) MAPTALDH1A1
SCHEMBL4381890 0.78 TSHR (0.40) RXRAMAPTDHODHTP53MEN1
SCHEMBL4381848 0.77 BRD4 (0.41) RXRARXRBMAPTGAACYP1A2
SCHEMBL4386988 0.75 MAPT (0.41) RXRARXRBMAPTGAACYP1A2

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 RXRA 1665/4885RXRB 1596/4885MAPT 2443/4885

“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.