SCHEMBL1611322

SCHEMBL1611322

[CH2]C(CCC)c1cccc2cc3ccccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
SLC6A4 P31645 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
HTR2A P28223 2/20 0.32
NQO1 P15559 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1612446 0.90 MEN1 (0.35) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL1610202 0.89 PPARG (0.35) PPARGPPARAALDH1A1KDM4EMEN1
SCHEMBL1611041 0.88 PPARG (0.37) PPARGPPARAALDH1A1KDM4EMEN1
SCHEMBL1487675 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EGAASLC6A4MEN1
SCHEMBL537417 0.84 ALDH1A1 (0.47) ALDH1A1GAASLC6A4KMT2ACYP1A2
SCHEMBL28448401 0.80 PPARG (0.35) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL11417140 0.80 L3MBTL1 (0.35) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL28442397 0.80 MTNR1A (0.40) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL7692449 0.80 PPARG (0.38) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL1306163 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMEN1KMT2A

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
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 PPARG 3986/4885PPARA 3635/4885ALDH1A1 137/4885

“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.