SCHEMBL4284026

SCHEMBL4284026

COc1ccc(Cc2ccc(COC(C)=O)cc2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ABCB1 P08183 2/20 0.49
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
PPARA Q07869 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL4287560 0.88 ALDH1A1 (0.54) ALDH1A1MTNR1AMTNR1BRAB9ASMN1; SMN2
SCHEMBL4283023 0.84 ABCB1 (0.54) ABCB1PPARALTA4H
SCHEMBL4279823 0.83 RAB9A (0.59) ALDH1A1ABCB1PPARARAB9ASMN1; SMN2
SCHEMBL4284190 0.82 RAB9A (0.52) ALDH1A1ABCB1PPARARAB9ASMN1; SMN2
SCHEMBL4289366 0.82 ABCB1 (0.55) ABCB1MTNR1AMTNR1BPPARALTA4H
SCHEMBL4281014 0.82 ABCB1 (0.52) ABCB1PPARARAB9ALTA4HHDAC8
SCHEMBL13034119 0.81 MTNR1A (0.62) ALDH1A1ABCB1MTNR1AMTNR1BRAB9A
SCHEMBL27563776 0.81 MAOB (0.57) ALDH1A1ABCB1MTNR1AMTNR1BLTA4H
SCHEMBL4284136 0.80 NPC1 (0.59) ALDH1A1ABCB1RAB9ASMN1; SMN2LTA4H
Anisole SCHEMBL5689485 0.79 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2TP53LTA4H

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
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 ALDH1A1 896/4885ABCB1 222/4885MTNR1A 1613/4885

“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.