SCHEMBL19736552

SCHEMBL19736552

O[C@@H]1OC(COCc2ccccc2)[C@@H](F)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ PDE2A O00408 2/20 0.42
▸ GJB2 P29033 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TACR2 P21452 3/20 0.41
▸ SSTR4 P31391 2/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ CDC25B P30305 3/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39

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
SCHEMBL14278490 1.00 HTR1A (0.43) HTR1ANT5EPDE2AGJB2BCHE
SCHEMBL20870545 1.00 HTR1A (0.43) HTR1ANT5EPDE2AGJB2BCHE
SCHEMBL29410621 0.89 HTR1A (0.48) HTR1ANT5EPDE2AGJB2BCHE
SCHEMBL4615596 0.89 HTR1A (0.48) HTR1ANT5EPDE2AGJB2BCHE
SCHEMBL13204990 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE
SCHEMBL20223437 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE
SCHEMBL17040197 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE
SCHEMBL1561736 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE
SCHEMBL1561732 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE
SCHEMBL13591465 0.89 HTR1A (0.52) HTR1ANT5EGJB2BCHEACHE

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-20180170957-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS ACADEMIA SINICA (TW) 2018-06-21 — — US disclosed
US-20170360924-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS WITH ALTERED GLYCOSYL GROUPS ACADEMIA SINICA (TW) 2017-12-21 — — 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-20170360924-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS WITH ALTERED GLYCOSYL GROUPS UGCG, GALK1, B3GAT3 HTR1A 4652/4885NT5E 1606/4885PDE2A 2251/4885
US-20180170957-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS CD69, PBK, CCL11 HTR1A 4794/4885NT5E 1331/4885PDE2A 2564/4885

“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.

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