SCHEMBL1712459

SCHEMBL1712459

CCCCCCCCC(C=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
MAPT P10636 2/20 0.42
TRPA1 O75762 1/20 0.42
DDAH1 O94760 1/20 0.42
GAPDH P04406 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD1 P17405 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2884535 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11251404 0.98 TRPA1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5941933 0.91
SCHEMBL11898466 0.91 FAAH (0.52) MAPTTSHRFFAR1LMNA
SCHEMBL28600523 0.86 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11858120 0.84 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13922054 0.81
SCHEMBL4048543 0.81
SCHEMBL31347979 0.81 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11219107 0.81 ADH1B (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 US disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 US disclosed
EP-2343974-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS Georgetown University (US) 2011-07-20 EP disclosed
WO-2010027641-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 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-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS CACNA1C, CACNA1B, CACNA1A ADH1B 4568/4885ADH1C 3639/4885ADH1A 4410/4885

“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.