SCHEMBL403901

SCHEMBL403901

O=C(OCc1ccccc1)C1CCC[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
F2 P00734 1/20 0.42
FKBP1A P62942 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL1723300 0.81 TSHR (0.45) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL1723301 0.81 TSHR (0.45) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL17766262 0.81 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL16347238 0.81 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL596126 0.80 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL1723646 0.80 RAB9A (0.48) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL14324086 0.80 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL595759 0.80 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL1723643 0.80 RAB9A (0.48) TSHRALDH1A1PSEN1PSEN2APH1B
SCHEMBL595790 0.80 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A

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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 US 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 (2 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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD TSHR 2387/4885ALDH1A1 371/4885KLK7 1399/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD TSHR 2381/4885ALDH1A1 364/4885KLK7 1402/4885

“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.