SCHEMBL30003604

SCHEMBL30003604

Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
CA1 P00915 6/20 0.64
CA2 P00918 6/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
GRK6 P43250 2/20 0.54
SLC5A2 P31639 2/20 0.48
PYGB P11216 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6672229 1.00 TSHR (0.70) TSHRCA1CA2NPC1RAB9A
SCHEMBL13995569 0.86 TSHR (0.55) TSHRCA1CA2NPC1RAB9A
SCHEMBL13995568 0.86 TSHR (0.55) TSHRCA1CA2NPC1RAB9A
SCHEMBL13680075 0.84 CA1 (0.68) TSHRCA1CA2NPC1RAB9A
SCHEMBL6686920 0.84 TSHR (0.66) TSHRCA1CA2NPC1RAB9A
SCHEMBL6675392 0.84 TSHR (0.66) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573470 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL14353200 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573474 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL14478652 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A

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-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof Aurora Fine Chemicals LLC (US) 2024-10-29 US disclosed
US-20220332694-A1 New water-soluble salts of cannabinoids, preparation and uses thereof Aurora Fine Chemicals LLC (US) 2022-10-20 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-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof CNR1, CNR2, FAAH TSHR 3964/4885CA1 3457/4885CA2 3128/4885
US-20220332694-A1 New water-soluble salts of cannabinoids, preparation and uses thereof CNR1, CNR2, GPR18 TSHR 3718/4885CA1 3196/4885CA2 2938/4885

“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.