SCHEMBL19742362

SCHEMBL19742362

O[C@H]1[C@H](OCc2ccccc2)COC(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
BCHE P06276 3/20 0.45
ACHE P22303 1/20 0.42
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
PDE4D Q08499 1/20 0.39
TACR1 P25103 1/20 0.39
KLK7 P49862 3/20 0.38
KLK5 Q9Y337 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL19430370 0.90 SLC6A2 (0.49) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL8718077 0.90 SLC6A2 (0.49) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL5804277 0.90 SLC6A2 (0.49) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL23867865 0.88 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL23867746 0.88 SLC6A2 (0.48) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL3141408 0.87 TACR1 (0.49) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL23867773 0.87 SLC6A2 (0.50) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL22239278 0.87 SLC6A2 (0.50) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL19430369 0.87 SLC6A2 (0.50) SLC6A2BCHEACHEPDPK1MTOR
SCHEMBL19591345 0.86 BCHE (0.48) SLC6A2BCHEACHEPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369519-A1 METHODS FOR THE STEREOSELECTIVE PREPARATION OF APIOSE DERIVATIVES FROM ALLYLIC ALCOHOL COMPOUNDS AND ALLENE COMPOUNDS USING CATALYTIC ASYMMETRIC SYNTHESIS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-12-28 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 (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-20170369519-A1 METHODS FOR THE STEREOSELECTIVE PREPARATION OF APIOSE DERIVATIVES FROM ALLYLIC ALCOHOL COMPOUNDS AND ALLENE COMPOUNDS USING CATALYTIC ASYMMETRIC SYNTHESIS GALE, SI, DERA SLC6A2 3626/4885BCHE 896/4885ACHE 425/4885

“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.