SCHEMBL4606853

SCHEMBL4606853

CCCCOc1cccc(C2(C(=O)O)CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 1/20 0.73
TSHR P16473 1/20 0.65
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
AKR1C1 Q04828 1/20 0.50
THRB P10828 1/20 0.48
NR1H4 Q96RI1 3/20 0.47
PLA2G4B P0C869 3/20 0.47
FAAH O00519 1/20 0.44
SMPD1 P17405 1/20 0.43

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
SCHEMBL11646688 0.93 TSHR (0.71) KMT2AMEN1TSHRGRIN1GRIN2A
SCHEMBL7807178 0.87 MEN1 (0.55) KMT2AMEN1TSHRGRIN1GRIN2A
SCHEMBL16566321 0.81 GRIN1 (0.62) KMT2AMEN1TSHRGRIN1GRIN2A
SCHEMBL7467608 0.80 AKR1C1 (0.59) KMT2AMEN1TSHRAKR1C1
SCHEMBL7810973 0.80 AKR1C1 (0.55) KMT2AAKR1C1SMPD1
SCHEMBL8587542 0.79 AKR1C1 (0.57) KMT2AMEN1TSHRAKR1C1
SCHEMBL2636679 0.79 KMT2A (0.88) KMT2AMEN1TSHRPLA2G4B
SCHEMBL521247 0.77 AKR1C1 (0.54) KMT2AMEN1TSHRAKR1C1
SCHEMBL23163974 0.77 ADAM17 (0.53) KMT2AMEN1TSHRAKR1C1NR1H4
SCHEMBL29705586 0.74 KMT2A (0.47) KMT2AMEN1TSHRNR1H4

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-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
CN-101304993-A Compounds and compositions as ppar modulators IRM LLC (BM) 2008-11-12 CN disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD KMT2A 3705/4885MEN1 4844/4885TSHR 587/4885

“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.