SCHEMBL4380658

SCHEMBL4380658

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
EGFR P00533 2/20 0.35
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 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
SCHEMBL4381319 0.94 HPGD (0.43) TSHRRECQLHPGDCYP1A2CYP2C19
SCHEMBL4391979 0.89 EGFR (0.35) TSHRRECQLCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4384780 0.87 CNR2 (0.40) CNR1CNR2HPGDEGFRMEN1
SCHEMBL4378212 0.86 EGFR (0.38) SMN1; SMN2EGFRMEN1KMT2AL3MBTL1
SCHEMBL4384888 0.85 DPP4 (0.39) CNR2CYP2C19CYP3A4EGFRCYP2C9
SCHEMBL4386514 0.84 EGFR (0.37) RECQLCYP3A4ALDH1A1SMN1; SMN2EGFR
SCHEMBL4381037 0.83 EGFR (0.35) TSHRRECQLHPGDALDH1A1SMN1; SMN2
SCHEMBL4392320 0.83 EGFR (0.36) TSHRRECQLHPGDCYP2C19ALDH1A1
SCHEMBL4388969 0.81 EGFR (0.34) SMN1; SMN2EGFRMEN1KMT2AKDM4E
SCHEMBL4386982 0.81 EGFR (0.40) TSHREGFRMEN1KMT2AKDM4E

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 TSHR 487/4885RECQL 1489/4885CNR1 614/4885

“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.