SCHEMBL4386730

SCHEMBL4386730

COC(=O)Cc1cc(O)cc(O)c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
DHODH Q02127 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT2 Q96PD7 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NLRP3 Q96P20 1/20 0.38
DHFR P00374 2/20 0.38
EGFR P00533 1/20 0.38
P2RX1 P51575 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL4387297 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MRGPRX4NLRP3
SCHEMBL4382035 0.87 HDAC4 (0.46) THRATHRBSMN1; SMN2EGFR
SCHEMBL4388539 0.80 HSP90AB1 (0.46) THRBMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL4390501 0.79 CNR2 (0.48) DHODHSMN1; SMN2EGFR
SCHEMBL4384676 0.79 CFD (0.42) MEN1KMT2AEGFR
SCHEMBL4386486 0.78 ACLY (0.47) THRBMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL4389848 0.78 VEGFA (0.47) EGFR
SCHEMBL4394973 0.78 PIM1 (0.39) DHODHMEN1KMT2ASMN1; SMN2DGAT2
SCHEMBL6025217 0.77 CCNC (0.45) EGFR
SCHEMBL4388872 0.77 CNR2 (0.49) EGFR

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 THRA 1288/4885THRB 1046/4885DHODH 3584/4885

“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.