SCHEMBL4574680

SCHEMBL4574680

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(CC3CCCC3)n2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
PPARD Q03181 3/20 0.38
RAB9A P51151 2/20 0.38
FABP1 P07148 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
FFAR1 O14842 3/20 0.36
RECQL P46063 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 2/20 0.35

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
SCHEMBL4575172 0.92 ALDH1A1 (0.44) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575858 0.91 ALDH1A1 (0.43) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4576160 0.91 PPARA (0.44) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575041 0.90 PPARA (0.43) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575537 0.89 PPARA (0.45) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575221 0.88 PPARA (0.42) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575732 0.88 PPARA (0.43) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4598247 0.86 PPARA (0.43) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575126 0.85 TUBB4A (0.41) PPARAPPARGALDH1A1TSHRHTT
SCHEMBL4575055 0.85 PPARA (0.45) PPARAPPARGPPARDFFAR1

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 4 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

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 PPARA 2/4885PPARG 1/4885ALDH1A1 645/4885

“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.