SCHEMBL10027893

SCHEMBL10027893

CC1(C)OC[C@@H](CCCCCC=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL19287166 1.00 CA2 (0.44) CA2TSHRALDH1A1NPSR1FAAH
SCHEMBL19043424 1.00 CA2 (0.44) CA2TSHRALDH1A1NPSR1FAAH
SCHEMBL7156770 0.86 CA2 (0.45) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL7152435 0.86 CA2 (0.45) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL649718 0.83 CA2 (0.37) CA2TSHRALDH1A1NPSR1
SCHEMBL815674 0.83 CA2 (0.37) CA2TSHRALDH1A1NPSR1
SCHEMBL10027882 0.83 CA2 (0.37) CA2TSHRALDH1A1NPSR1
SCHEMBL649719 0.83 CA2 (0.37) CA2TSHRALDH1A1NPSR1
SCHEMBL817984 0.81 CA2 (0.38) CA2TSHRALDH1A1NPSR1
SCHEMBL13130046 0.80 CA2 (0.47) CA2TSHRALDH1A1NPSR1TMEM97

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-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 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-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient HSD17B11, HCAR2, HSD11B1 CA2 251/4885TSHR 2525/4885ALDH1A1 109/4885

“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.