SCHEMBL15932508

SCHEMBL15932508

O=CC1CCCCCCCCCC(O)CCC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ADH1A P07327 9/20 0.36
ADH1C P00326 7/20 0.34
ADH4 P08319 3/20 0.33
ADH1B P00325 3/20 0.33
ADH7 P40394 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL19346834 1.00 TSHR (0.50) TSHRADH1AADH1CADH4ADH1B
SCHEMBL24512544 1.00 TSHR (0.50) TSHRADH1AADH1CADH4ADH1B
SCHEMBL14639970 0.97 TSHR (0.53) TSHRADH1AADH1CADH4ADH1B
SCHEMBL14045426 0.97 TSHR (0.53) TSHRADH1AADH1CADH4ADH1B
SCHEMBL13639014 0.93 TSHR (0.48) TSHRADH1AADH1CADH4ADH1B
SCHEMBL6059416 0.90 TSHR (0.43) TSHR
SCHEMBL7354255 0.90 TSHR (0.50) TSHR
SCHEMBL13109225 0.89 TSHR (0.43) TSHRADH1AADH1CADH4ADH1B
SCHEMBL20573718 0.87 ADH1A (0.43) ADH1AADH1CADH4ADH1BADH7
SCHEMBL493755 0.84 ADH1A (0.41) ADH1AADH1CADH4ADH1BADH7

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-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 TSHR 2979/4885ADH1A 1922/4885ADH1C 3129/4885

“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.