SCHEMBL2846483

SCHEMBL2846483

CCCCCCOCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GNAO1 P09471 12/20 0.50
GNAI3 P08754 11/20 0.50
GNAI1 P63096 11/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL13610213 1.00 ALDH1A1 (0.52) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL14395367 0.92 SMN1; SMN2 (0.48) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL20017937 0.89 ALDH1A1 (0.49) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL13610209 0.89 ALDH1A1 (0.49) ALDH1A1TDP1GNAO1GNAI3GNAI1
SCHEMBL130841 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL8434237 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL13923572 0.86 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL125673 0.83 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL11995969 0.82 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL130814 0.82 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2MEN1THRB

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-8455520-B2 Soluble epoxide hydrolase inhibitors, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
EP-2178534-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009011872-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-01-22 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-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS ALDH1A1 487/4885TDP1 1969/4885GNAO1 1413/4885

“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.