SCHEMBL17549552

SCHEMBL17549552

C(CCOC[C@H]1CO1)COC[C@@H]1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
ALDH1A1 P00352 7/20 0.75
TDP1 Q9NUW8 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.74
MAPK1 P28482 1/20 0.50
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.35
SPHK2 Q9NRA0 4/20 0.34
SPHK1 Q9NYA1 4/20 0.34

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
SCHEMBL13974192 1.00 TSHR (1.00) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21272 1.00 TSHR (1.00) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19410554 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19410576 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL262589 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668239 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15215 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL20543294 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21834095 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL2786172 0.97 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908948-B2 Enantiopure or enantioenriched BDDE and its use as crosslinking agent in the manufacture of cross-linked products GALDERMA S.A. (CH) 2018-03-06 US disclosed
US-20170291963-A1 ENANTIOPURE OR ENANTIOENRICHED BDDE AND ITS USE AS CROSSLINKING AGENT IN THE MANUFACTURE OF CROSS-LINKED PRODUCTS GALDERMA S.A. (CH) 2017-10-12 US disclosed
US-20170291963-A1 ENANTIOPURE OR ENANTIOENRICHED BDDE AND ITS USE AS CROSSLINKING AGENT IN THE MANUFACTURE OF CROSS-LINKED PRODUCTS GALDERMA S.A. (CH) 2017-10-12 US disclosed
WO-2016030516-A1 ENANTIOPURE OR ENANTIOENRICHED BDDE AND ITS USE AS CROSSLINKING AGENT IN THE MANUFACTURE OF CROSS-LINKED PRODUCTS GALDERMA S.A. (CH) 2016-03-03 WO 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-20170291963-A1 ENANTIOPURE OR ENANTIOENRICHED BDDE AND ITS USE AS CROSSLINKING AGENT IN THE MANUFACTURE OF CROSS-LINKED PRODUCTS GNE, EPHX2, CD44 TSHR 2811/4885ALDH1A1 302/4885TDP1 3282/4885

“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.