SCHEMBL4575172

SCHEMBL4575172

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(C3CCCC3)n2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
PPARA Q07869 5/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SPHK1 Q9NYA1 3/20 0.40
FABP1 P07148 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4575858 0.99 ALDH1A1 (0.43) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4576160 0.98 PPARA (0.44) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4575732 0.93 PPARA (0.43) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4574680 0.92 PPARA (0.42) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4598247 0.91 PPARA (0.43) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4575126 0.90 TUBB4A (0.41) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4575041 0.90 PPARA (0.43) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4574848 0.89 LMNA (0.43) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4575537 0.89 PPARA (0.45) ALDH1A1HTTLMNATSHRPPARA
SCHEMBL4576216 0.89 MEN1 (0.41) ALDH1A1HTTLMNATSHRPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD ALDH1A1 645/4885HTT 798/4885LMNA 3670/4885

“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.