SCHEMBL5639741

SCHEMBL5639741

COC(=O)Cc1csc2c(OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL73376 0.88 L3MBTL1 (0.47) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL73600 0.86 L3MBTL1 (0.47) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5640436 0.84 KDM4E (0.42) L3MBTL1KDM4EALDH1A1HPGDRPS6KB2
SCHEMBL15016169 0.79 MTNR1A (0.47) KDM4ECYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL1470493 0.76 SMN1; SMN2 (0.58)
SCHEMBL14564348 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10RPS6KB2
SCHEMBL72871 0.75 KMT2A (0.47) KDM4ECYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL73404 0.75 TAAR1 (0.53)
SCHEMBL5447789 0.73 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10RPS6KB2
SCHEMBL468013 0.73 MEN1 (0.58) L3MBTL1TDP1ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD L3MBTL1 4411/4885KDM4E 2473/4885CYP1A2 2064/4885

“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.