SCHEMBL17287315

SCHEMBL17287315

CCCCCCCC(C)C[Mg]Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
TSHR P16473 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
FAAH O00519 1/20 0.36
SMPD1 P17405 3/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL31187930 1.00 ACE2 (0.44) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL31181919 0.91 ACE2 (0.41) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL10542838 0.91
SCHEMBL10540976 0.91
SCHEMBL10545418 0.91
SCHEMBL31187958 0.82 ACE2 (0.48) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL17287347 0.81 ACE2 (0.47) ACE2OPRM1SPHK1LMNADNM1
SCHEMBL10543361 0.80
SCHEMBL10546329 0.80
SCHEMBL3117239 0.80

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
EP-2949641-B1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID SHINETSU CHEMICAL CO (JP) 2017-10-04 EP disclosed
US-9278900-B2 Method for producing 3,5-dimethyldodecanoic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-08 US disclosed
US-20150344396-A1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 US disclosed
EP-2949641-A1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID Shin-Etsu Chemical Co., Ltd. (JP) 2015-12-02 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-20150344396-A1 METHOD FOR PRODUCING 3,5-DIMETHYLDODECANOIC ACID MSMO1, MLYCD, ME3 ACE2 1992/4885OPRM1 673/4885SPHK1 4204/4885

“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.