SCHEMBL4391979

SCHEMBL4391979

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCOCC(=O)NC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
RECQL P46063 2/20 0.35
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G1B P04054 2/20 0.32
ACLY P53396 1/20 0.32
CAPN1 P07384 1/20 0.32
CLCN2 P51788 1/20 0.31
GAA P10253 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4392320 0.94 EGFR (0.36) EGFRRECQLCYP2C19SMN1; SMN2MEN1
SCHEMBL4378212 0.90 EGFR (0.38) EGFRSMN1; SMN2MEN1KMT2AFABP3
SCHEMBL4381319 0.90 HPGD (0.43) EGFRRECQLCYP2C19SMN1; SMN2MEN1
SCHEMBL4380658 0.89 TSHR (0.38) EGFRRECQLCYP2C19SMN1; SMN2MEN1
SCHEMBL4384888 0.88 DPP4 (0.39) EGFRCYP2C19MEN1KMT2APLA2G1B
SCHEMBL4381037 0.86 EGFR (0.35) EGFRRECQLSMN1; SMN2TSHRGAA
SCHEMBL4388969 0.84 EGFR (0.34) EGFRSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4380935 0.83 EGFR (0.39) EGFRSMN1; SMN2PLA2G1BCLCN2FABP3
SCHEMBL4386514 0.83 EGFR (0.37) EGFRRECQLSMN1; SMN2MEN1KMT2A
SCHEMBL4379549 0.82 EGFR (0.33) EGFRSMN1; SMN2MEN1KMT2A

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 EGFR 624/4885RECQL 1489/4885CYP2C19 733/4885

“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.