SCHEMBL3035290

SCHEMBL3035290

O=C(O)C(CCSc1ccccc1)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.50
PPARA Q07869 6/20 0.50
ALOX5 P09917 6/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.48
PTGES O14684 5/20 0.47
FFAR1 O14842 1/20 0.46
FOLH1 Q04609 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMP2 P08253 1/20 0.45
TBXAS1 P24557 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL10968878 0.83 CYP1A2 (0.44) PPARGPPARAALOX5ALDH1A1MAPK1
SCHEMBL8324377 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1FFAR1MTNR1AMTNR1B
SCHEMBL9858577 0.81 PPARG (0.58) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL2351097 0.80 PPARG (0.58) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL5423391 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1FFAR1MTNR1AMTNR1B
SCHEMBL29091538 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1MTNR1AMTNR1B
SCHEMBL22612304 0.77 PPARG (0.52) PPARGPPARAALOX5ALDH1A1MAPK1
SCHEMBL5080497 0.77 PPARG (0.72) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL5052962 0.77 FOLH1 (0.71) PPARGPPARAALOX5PTGESFOLH1
SCHEMBL1157774 0.76 KIF11 (0.50) ALDH1A1MAPK1FFAR1MTNR1AMTNR1B

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-8647878-B2 Highly refractive immersion liquids and their use CARL ZEISS AG (DE) 2014-02-11 US disclosed
US-20100212547-A1 Highly Refractive Immersion Liquids And Their Use CARL ZEISS AG (DE) 2010-08-26 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-20100212547-A1 Highly Refractive Immersion Liquids And Their Use NR4A3, NR2E3, NR4A1 PPARG 2857/4885PPARA 2301/4885ALOX5 373/4885

“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.