SCHEMBL16290253

SCHEMBL16290253

CCCCC([C]=O)(CCC=O)CCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
EPHX1 P07099 1/20 0.31
ADH4 P08319 1/20 0.31
HIF1A Q16665 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
SCHEMBL16290199 0.87 ALDH1A1 (0.42) TSHRFAAHTRPV1ALDH1A1
SCHEMBL502512 0.84 FDPS (0.36) TSHR
SCHEMBL28422929 0.82 FDPS (0.34) TSHR
SCHEMBL16290215 0.80 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL525489 0.78 GGPS1 (0.41) TSHR
SCHEMBL5028617 0.75 FDPS (0.33) TSHR
SCHEMBL4597693 0.75 GGPS1 (0.43) TSHR
SCHEMBL3372046 0.75 GGPS1 (0.43) TSHR
SCHEMBL7582387 0.75 GGPS1 (0.43) TSHR
SCHEMBL1784622 0.71 TSHR (0.52) TSHRFAAHTRPV1ALDH1A1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US disclosed
US-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-01-08 US disclosed
EP-2813482-A1 METHOD FOR PRODUCING ETHER COMPOUND Takasago International Corporation (JP) 2014-12-17 EP 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-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND CBR3, CYP2E1, HPD TSHR 4272/4885FAAH 194/4885TRPV1 2145/4885

“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.