SCHEMBL5338406

SCHEMBL5338406

CC(C(=O)O)C1COC(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.33
HCRTR1 O43613 2/20 0.33
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA2 P00918 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5699154 0.82 TMEM97 (0.32) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL346996 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL18302566 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL345860 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL346997 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL25387433 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL8169843 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL18682065 0.81 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL19230050 0.80 TRPA1 (0.35) HCRTR2HCRTR1CA2
SCHEMBL9332338 0.79 HCRTR1 (0.35) HCRTR2HCRTR1TMEM97SIGMAR1CA2

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-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-19 US disclosed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 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 (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-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ENTPD5, KLK3, GUSB HCRTR2 3015/4885HCRTR1 2773/4885TMEM97 4693/4885

“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.