SCHEMBL17786016

SCHEMBL17786016

O=C(O)OCC(COCc1ccccc1)OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.47
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ TACR1 P25103 2/20 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
SCHEMBL17044689 0.85 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL10013140 0.81 CYP1A2 (0.46) FOLH1
SCHEMBL24827422 0.81 ALDH1A1 (0.57) SLC1A1CA1CA2CA7CA9
SCHEMBL3736045 0.80 APOBEC3A (0.50) SLC1A1CA1CA2CA7CA9
SCHEMBL7789021 0.80 ALDH1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL1492511 0.80 SLC1A3 (0.49) SLC1A1CA1CA2CA9TSHR
SCHEMBL15580652 0.77 ALDH1A1 (0.44) SLC1A1CA1CA2CA7CA9
SCHEMBL18618733 0.77 ALDH1A1 (0.52) ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8928171 0.77 LMNA (0.46) —
SCHEMBL12371939 0.76 CA1 (0.47) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400064-B2 Glycerol-based polycarbonates TRUSTEES OF BOSTON UNIVERSITY (US) 2019-09-03 — — US disclosed
US-20170369643-A1 GLYCEROL-BASED POLYCARBONATES TRUSTEES OF BOSTON UNIVERSITY (US) 2017-12-28 — — US disclosed
WO-2016086118-A1 GLYCEROL-BASED POLYCARBONATES TRUSTEES OF BOSTON UNIVERSITY (US) 2016-06-02 — — 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 (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-10400064-B2 Glycerol-based polycarbonates GK, AGPAT5, PC SLC1A1 2773/4885CA1 3424/4885CA2 2309/4885
US-20170369643-A1 GLYCEROL-BASED POLYCARBONATES GK, PGK1, PARG SLC1A1 3381/4885CA1 474/4885CA2 65/4885

“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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