SCHEMBL4285331

SCHEMBL4285331

CCc1ccc(C(O)c2c(O)cc(CO)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ADRB2 P07550 2/20 0.38
SHBG P04278 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL4287077 0.87 IGF1R (0.34) ADRB2SHBGADRB1ADRA2AADRB3
SCHEMBL28776649 0.86 ABAT (0.34) ADRB2MAPK1TDP1ADRB1ADRA2A
SCHEMBL4285479 0.81 ALDH1A1 (0.36) TRPA1ALDH1A1LMNA
SCHEMBL8064208 0.69 LMNA (0.53) TRPA1TSHRMAPK1ATMTDP1
SCHEMBL4292575 0.69 ALDH1A1 (0.37) ADRB2ALDH1A1LMNA
SCHEMBL8075237 0.67 CYP3A4 (0.44) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL11293208 0.66 ALDH1A1 (0.36) TRPA1SHBGTSHRMAPK1ATM
SCHEMBL1002201 0.65 CES2 (0.42) TSHRADRB1ADRA2AADRB3ADRA2B
SCHEMBL241420 0.65 TRPA1 (0.64) TRPA1ADRB1ADRA2AADRB3ADRA2B
SCHEMBL240771 0.65 TRPA1 (0.64) TRPA1SHBGALDH1A1

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 TRPA1 1432/4885ADRB2 747/4885SHBG 872/4885

“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.