SCHEMBL20109168

SCHEMBL20109168

C=C(C(C)c1ccccc1)P1(=O)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
PTGS2 P35354 2/20 0.36
GRM7 Q14831 2/20 0.36
HPGD P15428 2/20 0.35
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL20109193 0.73 FAAH (0.43) FAAHPTGS2GRM7HPGDPTGS1
SCHEMBL20109150 0.70 CYP2D6 (0.36) FAAHPTGS2GRM7HPGDALDH1A1
SCHEMBL10628842 0.68 PTGS2 (0.47) FAAHPTGS2HPGDPTGS1ALDH1A1
SCHEMBL13177031 0.67 PTGS2 (0.45) PTGS2HPGDPTGS1ALDH1A1CYP3A4
SCHEMBL16168604 0.67 PTGS2 (0.45) PTGS2HPGDPTGS1ALDH1A1CYP3A4
SCHEMBL13176481 0.67 PTGS2 (0.45) PTGS2HPGDPTGS1ALDH1A1CYP3A4
SCHEMBL4813777 0.65 PTGS2 (0.43) FAAHPTGS2HPGDALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL11508344 0.65 PTGS2 (0.43) FAAHPTGS2HPGDALDH1A1CYP3A4
SCHEMBL2163297 0.65 HPGD (0.47) PTGS2HPGDALDH1A1CYP3A4TSHR
SCHEMBL348322 0.65 HPGD (0.52) FAAHPTGS2GRM7HPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 FAAH 3458/4885PTGS2 1929/4885GRM7 2242/4885

“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.