SCHEMBL5447303

SCHEMBL5447303

COC(=O)C(C(C)=O)c1coc2cc(OC)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
NQO2 P16083 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 3/20 0.45
PTGS2 P35354 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
XDH P47989 1/20 0.44
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5452793 0.82 MAOB (0.43) ALDH1A1MAPTPTGS2RAB9ANPC1
SCHEMBL205244 0.77 POLB (0.53) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL23135513 0.75 PIN1 (0.54) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL16344805 0.75 CYP3A4 (0.46) ALDH1A1LMNAHTTMTNR1AMTNR1B
SCHEMBL4143937 0.74 AKR1C3 (0.52) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL4802687 0.72 PIN1 (0.51) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL4367744 0.72 ALDH1A1 (0.57) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL15211526 0.71 TERT (0.47) ALDH1A1HTTMAPTPTGS2TDP1
SCHEMBL3921973 0.71 SMN1; SMN2 (0.53) ALDH1A1LMNATSHRHTTMAPT
SCHEMBL25447343 0.71 PIN1 (0.49) ALDH1A1MTNR1AMAPTPTGS2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 ALDH1A1 1357/4885LMNA 3512/4885TSHR 4794/4885

“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.