SCHEMBL16017642

SCHEMBL16017642

CC(=O)Oc1ccc(Oc2ccc(C[C@H](C)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
FFAR1 O14842 2/20 0.51
PPARA Q07869 4/20 0.49
PPARD Q03181 2/20 0.49
LDHA P00338 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ACACB O00763 1/20 0.45
LMNA P02545 1/20 0.44
PRSS1 P07477 3/20 0.44
TMPRSS15 P98073 3/20 0.44
PPARG P37231 3/20 0.44
ELANE P08246 3/20 0.44
TBXAS1 P24557 2/20 0.43

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
SCHEMBL11859335 0.95 POLB (0.55) POLBKMT2AFFAR1LDHAALDH1A1
SCHEMBL11432241 0.85 FFAR1 (0.65) FFAR1PPARAPPARDACACBPPARG
SCHEMBL14640275 0.84 FFAR1 (0.53) KMT2AFFAR1PPARAPPARDLDHA
SCHEMBL159833 0.80 PTGS2 (0.55) POLBKMT2AMAPTLMNAELANE
SCHEMBL11237591 0.79 TBXAS1 (0.59) FFAR1LDHALMNATBXAS1
SCHEMBL671002 0.79 SLC7A5 (0.61) POLBKMT2ALDHAALDH1A1HSP90AA1
SCHEMBL22645606 0.79 SLC7A5 (0.61) POLBKMT2ALDHAALDH1A1HSP90AA1
SCHEMBL450849 0.79 SLC7A5 (0.61) POLBKMT2ALDHAALDH1A1HSP90AA1
SCHEMBL4372393 0.78 LMNA (0.52) POLBKMT2ALDHAALDH1A1HSP90AA1
SCHEMBL663059 0.78 LDHA (0.73) FFAR1PPARALDHAACACBPPARG

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-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-11 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-20140256912-A1 Stabilized Variant MAML Peptides and Uses Thereof NOTCH1, MDN1, NOTCH2 POLB 4521/4885KMT2A 3650/4885FFAR1 3653/4885

“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.