SCHEMBL19201560

SCHEMBL19201560

COC(=O)[C@@H]1[C@H](C)[C@H](C(=O)O)[C@H]1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.52
ATM Q13315 1/20 0.51
PPARG P37231 4/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FABP7 O15540 3/20 0.49
FABP5 Q01469 3/20 0.49
FABP3 P05413 1/20 0.48
P4HB P07237 1/20 0.48

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
SCHEMBL16869915 0.88 POLB (1.00) POLBALDH1A1TSHRATMPPARG
SCHEMBL16870078 0.88 POLB (1.00) POLBALDH1A1TSHRATMPPARG
SCHEMBL16869924 0.88 POLB (1.00) POLBALDH1A1TSHRATMPPARG
SCHEMBL16866274 0.88 POLB (1.00) POLBALDH1A1TSHRATMPPARG
SCHEMBL14225120 0.86 POLB (0.89) POLBALDH1A1TSHRATMPPARG
SCHEMBL8067771 0.86 POLB (0.82) POLBALDH1A1TSHRATMPPARG
SCHEMBL8067775 0.86 POLB (0.82) POLBALDH1A1TSHRATMPPARG
SCHEMBL19355164 0.86 POLB (0.89) POLBALDH1A1TSHRATMPPARG
SCHEMBL18674039 0.83 POLB (0.54) POLBALDH1A1PPARGHTTGAA
SCHEMBL19355100 0.80 FABP7 (0.78) POLBALDH1A1TSHRPPARGHTT

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-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-08-03 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-20170216241-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 POLB 4667/4885ALDH1A1 1091/4885TSHR 216/4885

“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.