SCHEMBL17087891

SCHEMBL17087891

C=CCC1OC(CC)C(C)C1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CA9 Q16790 6/20 0.32
▸ CA12 O43570 5/20 0.32
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ CA4 P22748 4/20 0.32
▸ CA6 P23280 4/20 0.32
▸ CA5A P35218 4/20 0.32
▸ CA7 P43166 4/20 0.32
▸ CA13 Q8N1Q1 4/20 0.32
▸ CA14 Q9ULX7 4/20 0.32
▸ CA5B Q9Y2D0 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL16436187 0.95 NR3C1 (0.35) CYP2C19NR3C1FYNADRA2AADORA3
SCHEMBL15982001 0.95 CYP2C19 (0.32) CYP2C19NR3C1FYNADRA2AADORA3
SCHEMBL18020648 0.95 CYP2C19 (0.32) CYP2C19NR3C1FYNADRA2AADORA3
SCHEMBL16520393 0.88 NR3C1 (0.40) CYP2C19NR3C1FYNADRA2AADORA3
SCHEMBL15298598 0.86 CYP2D6 (0.33) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL26878776 0.83 — —
SCHEMBL26879371 0.83 — —
SCHEMBL26289087 0.82 — —
SCHEMBL16436188 0.82 CA12 (0.37) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL18254147 0.81 THRB (0.42) NR3C1FYNADRA2AADORA3ADRA2B

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-9663548-B2 10-α/β-D-arabinofuranosyl-undecenes as potential anti-mycobacterial agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-30 — — US disclosed
US-20150259372-A1 10-a/BETA-D-ARABINOFURANOSYL-UNDECENES AS POTENTIAL ANTI-MYCOBACTERIAL AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-17 — — 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 (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-20150259372-A1 10-a/BETA-D-ARABINOFURANOSYL-UNDECENES AS POTENTIAL ANTI-MYCOBACTERIAL AGENTS AND PROCESS FOR THE PREPARATION THEREOF DCXR, DHPS, MANBA CYP2C19 1747/4885NR3C1 2867/4885FYN 2593/4885

“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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