SCHEMBL16145424

SCHEMBL16145424

C[C@@H]1OC(OCCCCC(=O)O)[C@H](O)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TK1 P04183 2/20 0.34
▸ IGF2R P11717 1/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ PTGFR P43088 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ PPARG P37231 4/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SELL P14151 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
SCHEMBL14704264 1.00 ALDH1A1 (0.39) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL30163856 1.00 ALDH1A1 (0.39) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL16154497 1.00 ALDH1A1 (0.39) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL30465054 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL16154509 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL24721233 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL29779648 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL16084870 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL16145439 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR
SCHEMBL30465046 0.99 ALDH1A1 (0.41) ALDH1A1TK1IGF2RTBXA2RPTGFR

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 ALDH1A1 4656/4885TK1 3855/4885IGF2R 3605/4885
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes HNMT, EMG1, API5 ALDH1A1 4581/4885TK1 4038/4885IGF2R 4557/4885
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes EMG1, HNMT, MSN ALDH1A1 4056/4885TK1 4399/4885IGF2R 4369/4885

“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.

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