SCHEMBL9846802

SCHEMBL9846802

O=C1CCC(C(O)C(=O)O)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDUA P35475 1/20 0.39
GUSB P08236 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
PRKCA P17252 3/20 0.38
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 0.30

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
SCHEMBL15151 0.87 IDUA (0.36) IDUAGUSBCA1CA9PRKCA
SCHEMBL15210146 0.87 IDUA (0.36) IDUAGUSBCA1CA9PRKCA
Lactic Acid SCHEMBL7156907 0.81 TP53 (0.34) IDUAGUSBCA1CA9PRKCA
SCHEMBL24602753 0.78 CA1 (0.42) CA1CA9PRKCATSHRCYP1A2
SCHEMBL5492523 0.78 CA1 (0.42) CA1CA9PRKCATSHRCYP1A2
SCHEMBL19284480 0.75 PRKCA (0.45) CA1CA9PRKCATSHRCYP1A2
SCHEMBL19297932 0.75 PRKCA (0.45) CA1CA9PRKCATSHRCYP1A2
SCHEMBL20045095 0.75
SCHEMBL20045087 0.75
SCHEMBL17831608 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422765-A1 Cosmetic composition UNILEVER PLC (GB) 1991-04-17 EP claimed
US-20210214298-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES UNIV CALIFORNIA (US) 2021-07-15 US disclosed
EP-3333152-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES The Regents of The University of California Santa Cruz (US) 2018-06-13 EP disclosed
WO-2017147098-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-31 WO disclosed
EP-0422765-A1 Cosmetic composition UNILEVER PLC (GB) 1991-04-17 EP 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-20210214298-A1 DEOXYDEHYDRATION OF SUGAR DERIVATIVES GCK, G6PD, SLC2A4 IDUA 370/4885GUSB 618/4885CA1 733/4885

“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.