SCHEMBL4693225

SCHEMBL4693225

C=CCn1nc(-c2ccc(C(C)(C)C)cc2)c(CC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
ALPG P10696 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NR1H4 Q96RI1 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 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
SCHEMBL4688302 0.80 GRN (0.47) EGLN3NR1H4POLBGAAPTGS2
SCHEMBL4688182 0.79 ALDH1A1 (0.45) ALDH1A1ALPGPPARGPPARAPPARD
SCHEMBL4692297 0.72 PPARG (0.57) ALDH1A1ALPGPPARGPPARAPPARD
SCHEMBL4692592 0.72 PPARG (0.58) ALDH1A1ALPGPPARGPPARAPPARD
SCHEMBL4682043 0.68 PTGER4 (0.50) PPARGPPARAPPARDTP53
SCHEMBL4688177 0.66 PPARG (0.56) ALDH1A1PPARGPPARAPPARDMAPT
SCHEMBL4693223 0.66 PPARG (0.55) ALDH1A1PPARGPPARAPPARDMAPT
SCHEMBL10172743 0.65 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL7772871 0.65 KMT2A (0.46) KMT2APTGS2LMNA
SCHEMBL4682706 0.65 PTGER4 (0.48) ALDH1A1GAATP53SMN1; SMN2

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 ALDH1A1 785/4885ALPG 3574/4885PPARG 3/4885

“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.