SCHEMBL4119043

SCHEMBL4119043

CC(C)(C)OC(=O)C=Cc1ccc(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
DAO P14920 6/20 0.40
PKM P14618 1/20 0.37
LIG1 P18858 1/20 0.37
ESR1 P03372 1/20 0.36
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
RARA P10276 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL4119039 1.00 KMT2A (0.45) KMT2AMAPK1DAOPKMLIG1
SCHEMBL6016286 0.83 CA12 (0.45) KMT2AMAPK1DAOPKMLIG1
SCHEMBL6016287 0.83 CA12 (0.45) KMT2AMAPK1DAOPKMLIG1
SCHEMBL4112843 0.82 CA12 (0.40) KMT2AMAPK1PKMESR1LMNA
SCHEMBL12662972 0.82 HDAC3 (0.48) KMT2AMAPK1PKMLMNAHTT
SCHEMBL4112847 0.82 CA12 (0.40) KMT2AMAPK1PKMESR1LMNA
SCHEMBL2972779 0.81 KMT2A (0.44) KMT2AMAPK1ESR1LMNAHTT
SCHEMBL14502238 0.81 KMT2A (0.44) KMT2AMAPK1DAOPKMESR1
SCHEMBL28715067 0.80 KMT2A (0.43) KMT2AMAPK1ESR1LMNAHTT
SCHEMBL30045478 0.80 KMT2A (0.43) KMT2AMAPK1ESR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
EP-1712550-A2 Substituted triazole diamine derivatives as kinase inhibitors Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
CN-1575284-A Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARM INC (US) 2005-02-02 CN 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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 KMT2A 2893/4885MAPK1 1725/4885DAO 3464/4885

“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.