SCHEMBL4689580

SCHEMBL4689580

CCc1c(C(=O)O)nn(Cc2ccccc2)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
BCL2 P10415 1/20 0.40
MDM2 Q00987 1/20 0.40
MCL1 Q07820 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4688182 0.81 ALDH1A1 (0.45) KMT2APOLBALDH1A1MEN1BCL2
SCHEMBL27746881 0.81 CYP19A1 (0.44) CYP19A1GRNSORT1KMT2APOLB
SCHEMBL1482977 0.81 KMT2A (0.46) CYP19A1GRNSORT1KMT2APOLB
SCHEMBL5216996 0.74 HSP90AA1 (0.48) KMT2AALDH1A1TSHRPTGDR2NR1H2
SCHEMBL4692553 0.73 MARS1 (0.62) GRNSORT1KMT2AMDM2
SCHEMBL1484330 0.73 AGTR1 (0.46) KMT2APOLBALDH1A1MEN1
SCHEMBL1484332 0.73 AGTR1 (0.46) KMT2APOLBALDH1A1MEN1
SCHEMBL12829728 0.73 AGTR1 (0.46) KMT2APOLBALDH1A1MEN1
SCHEMBL12755620 0.73 AGTR1 (0.46) KMT2APOLBALDH1A1MEN1
SCHEMBL4689814 0.72 GRN (0.64) GRNSORT1KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG CYP19A1 398/4885GRN 4143/4885SORT1 4670/4885

“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.