SCHEMBL6519309

SCHEMBL6519309

C=CC(CCCCC)OCOCC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL11703085 0.87 ADH1B (0.31) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6046773 0.84 OPRM1 (0.39) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL12786311 0.83 ADH1B (0.32) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL1142799 0.82 TSHR (0.38) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL1142707 0.82 TSHR (0.38) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL1142759 0.82 TSHR (0.38) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL1142452 0.82 TSHR (0.38) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL19356850 0.78 TSHR (0.39) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL1142556 0.77 DNM1 (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1142866 0.77 DNM1 (0.38) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 OPRM1 125/4885ADH1B 322/4885ADH1C 445/4885

“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.