SCHEMBL4385057

SCHEMBL4385057

CCc1c(OCOC)cc(OCOC)c(-c2cccc(CCC(C)=O)c2)c1CCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4378253 0.85 HTR1A (0.31) FFAR1
SCHEMBL4384270 0.84 FFAR1 (0.37) FFAR1NPC1RAB9AALDH1A1BRD4
SCHEMBL4387550 0.83 FDPS (0.39) ALDH1A1KDM4ECYP1A2MAPTSMN1; SMN2
SCHEMBL4387549 0.83 FDPS (0.39) ALDH1A1KDM4ECYP1A2MAPTSMN1; SMN2
SCHEMBL2862935 0.82 FYN (0.40) FFAR1EGFR
SCHEMBL4382068 0.82 EGFR (0.35) EGFRTP53SMN1; SMN2
SCHEMBL4386573 0.81 ALDH1A1 (0.36) NPC1RAB9AALDH1A1EGFRBRD4
SCHEMBL4380935 0.77 EGFR (0.39) EGFRSMN1; SMN2
SCHEMBL4379005 0.77 MEN1 (0.34) EGFRKDM4ELMNASMN1; SMN2
SCHEMBL4387419 0.77 EGFR (0.38) ALDH1A1EGFRKDM4ELMNACYP3A4

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 FFAR1 1445/4885NPC1 1090/4885RAB9A 585/4885

“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.