SCHEMBL16145708

SCHEMBL16145708

CCCCCCCC(O[Si](C)(C)C(C)(C)CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA2 P00918 2/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9842167 0.86 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL19475644 0.81 FFAR1 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL19475641 0.81 FFAR1 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL31626984 0.79 GPR84 (0.50) GPR84FFAR1MAPTLCKPPARD
Choline SCHEMBL28707352 0.79 PSMD14 (0.42) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10420255 0.78 FFAR1 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28707355 0.78 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8818728 0.77 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2578866 0.75 GPR84 (0.46) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28539179 0.75 GPR84 (0.46) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9534008-B2 Small molecule compounds that control plant- and insect-pathogenic nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-01-03 US disclosed
US-9487551-B2 Small molecule compounds that control mammal-pathogenic nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-08 US disclosed
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-11 US disclosed
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 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 (3 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-20140303360-A1 Small Molecule Compounds for the Control of Nematodes MAVS, EMG1, PINK1 GPR84 1268/4885FFAR1 3415/4885MAPT 4140/4885
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes HNMT, EMG1, API5 GPR84 4338/4885FFAR1 4683/4885MAPT 2689/4885
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes EMG1, HNMT, MSN GPR84 3577/4885FFAR1 4612/4885MAPT 3658/4885

“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.