SCHEMBL20287904

SCHEMBL20287904

CC(=O)OCC1O[C@@H](O)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TNF P01375 1/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
TACR2 P21452 2/20 0.44
POLB P06746 1/20 0.44
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
NT5E P21589 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL30039523 1.00 TSHR (0.50) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL3136372 1.00 TSHR (0.50) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL13380996 1.00 TSHR (0.50) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL20870237 1.00 TSHR (0.50) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL10524644 0.93 TSHR (0.46) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL17502089 0.91 TSHR (0.62) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL17502058 0.91 TSHR (0.59) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL21219187 0.91 TSHR (0.59) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL17502004 0.91 TSHR (0.59) TSHRALDH1A1TNFLMNAKMT2A
SCHEMBL13797894 0.91 TSHR (0.49) TSHRALDH1A1TNFLMNAKMT2A

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-10918714-B2 Human iNKT cell activation using glycolipids with altered glycosyl groups ACADEMIA SINICA (TW) 2021-02-16 US disclosed
US-20180170957-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS ACADEMIA SINICA (TW) 2018-06-21 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-10918714-B2 Human iNKT cell activation using glycolipids with altered glycosyl groups UGCG, GALK1, B3GAT3 TSHR 2390/4885ALDH1A1 2338/4885TNF 670/4885
US-20180170957-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS CD69, PBK, CCL11 TSHR 3314/4885ALDH1A1 3474/4885TNF 1509/4885

“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.