SCHEMBL4394973

SCHEMBL4394973

COCOc1cc(CC(=O)OC)c(-c2cccc(OC(F)(F)F)c2)c(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.39
DHFR P00374 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK1A Q13627 2/20 0.37
DGAT2 Q96PD7 1/20 0.37
DHODH Q02127 5/20 0.37
CTSA P10619 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL4385696 0.89 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL4378484 0.85 FFAR4 (0.38)
SCHEMBL2866502 0.84 EGFR (0.43) HDAC1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL4389611 0.82 FYN (0.43) DHODHFYN
SCHEMBL4390340 0.82 CFD (0.38) MEN1KMT2ASMN1; SMN2FYN
SCHEMBL4384140 0.82 EGFR (0.46) HDAC1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL4384801 0.81 MTNR1A (0.37) PIM1HDAC1HDAC6DYRK1AMEN1
SCHEMBL4386761 0.80 EGLN1 (0.42) MEN1KMT2A
SCHEMBL4388923 0.80 CCNC (0.41) SMN1; SMN2
SCHEMBL4379573 0.80 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2

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 PIM1 2782/4885DHFR 2550/4885HDAC1 302/4885

“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.