SCHEMBL19119034

SCHEMBL19119034

C[C@H](OC(=O)[C@@H](O)c1ccccc1)C(=O)P=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPK1 P28482 1/20 0.44
KLK7 P49862 4/20 0.43
HPGD P15428 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL19119401 0.80 ALDH1A1 (0.53) MAPK1KLK7HSD17B10SMN1; SMN2KMT2A
SCHEMBL4014858 0.80 LMNA (0.47) LMNAMAPK1KLK7HPGDCES2
SCHEMBL4485794 0.79 LMNA (0.54) LMNAMAPK1KLK7HPGDCES2
SCHEMBL4485798 0.79 LMNA (0.54) LMNAMAPK1KLK7HPGDCES2
SCHEMBL19107052 0.79 LMNA (0.46) LMNAMAPK1KLK7HPGDCES2
SCHEMBL19120157 0.77 LMNA (0.60) LMNAMAPK1HPGDCES2CES1
SCHEMBL19119845 0.77 LMNA (0.60) LMNAMAPK1HPGDCES2CES1
SCHEMBL19119528 0.74 ALDH1A1 (0.41) LMNAMAPK1KLK7HPGDKMT2A
SCHEMBL821949 0.73 LMNA (0.47) LMNAMAPK1HPGDCES2CES1
SCHEMBL17766275 0.73 MAPT (0.54) LMNAMAPK1KLK7HPGDCES2

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-20170196851-A1 Novel Alpha-Hydroxy Carboxylic Acid And Derivatives And Other Gras- Based Prodrugs Of Opioids And Uses Thereof THOTTATHIL JOHN K (US) 2017-07-13 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-20170196851-A1 Novel Alpha-Hydroxy Carboxylic Acid And Derivatives And Other Gras- Based Prodrugs Of Opioids And Uses Thereof OPRD1, OPRK1, OPRM1 LMNA 3944/4885MAPK1 3038/4885KLK7 3053/4885

“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.