SCHEMBL1685290

SCHEMBL1685290

CC(C)(c1ccccc1)c1cccc(C=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
ALDH1A1 P00352 3/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
TSHR P16473 1/20 0.37

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
Butane SCHEMBL27959903 0.94 ERN1 (0.42) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL17508181 0.84 KMT2A (0.46) ALDH1A1ESR1ESR2CYP3A4TRIM24
SCHEMBL7138544 0.83 ERN1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1276539 0.82 CA2 (0.56) ALDH1A1ESR1ESR2CYP3A4KMT2A
SCHEMBL30829189 0.81 ESR1 (0.44) ERN1ALDH1A1ESR1ESR2CYP3A4
SCHEMBL3241119 0.81 ESR1 (0.44) ERN1ALDH1A1ESR1ESR2CYP3A4
SCHEMBL31587806 0.80 ALOX12 (0.62) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL173039 0.80 ALOX12 (0.62) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1685305 0.80 ERN1 (0.53) ERN1ALDH1A1ESR1ESR2CYP3A4
SCHEMBL15771550 0.80 ALOX5 (0.48) ERN1ALDH1A1ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174928-B1 TRANSITION METAL COMPLEX COMPOUND, OLEFIN OLIGOMERIZATION CATALYST CONTAINING THE COMPOUND, AND METHOD FOR PRODUCING OLEFIN OLIGOMER PERFORMED IN THE PRESENCE OF THE CATALYST MITSUI CHEMICALS INC (JP) 2015-03-11 EP disclosed
US-8258361-B2 Transition metal complex compounds, olefin oligomerization catalysts including the compounds, and processes for producing olefin oligomers using the catalysts MITSUI CHEMICALS, INC. (JP) 2012-09-04 US disclosed
US-20110082325-A1 TRANSITION METAL COMPLEX COMPOUNDS, OLEFIN OLIGOMERIZATION CATALYSTS INCLUDING THE COMPOUNDS, AND PROCESSES FOR PRODUCING OLEFIN OLIGOMERS USING THE CATALYSTS MITSUI CHEMICALS, INC. 2011-04-07 US disclosed
EP-2174928-A1 TRANSITION METAL COMPLEX COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE COMPOUND, AND METHOD FOR PRODUCING OLEFIN POLYMER PERFORMED IN THE PRESENCE OF THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-04-14 EP disclosed
CN-101687776-A Transition metal complex compound, olefin polymerization catalyst containing the compound, and method for producing olefin polymer performed in the presence of the catalyst MITSUI CHEMICALS INC 2010-03-31 CN 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-20110082325-A1 TRANSITION METAL COMPLEX COMPOUNDS, OLEFIN OLIGOMERIZATION CATALYSTS INCLUDING THE COMPOUNDS, AND PROCESSES FOR PRODUCING OLEFIN OLIGOMERS USING THE CATALYSTS OSTC, COG4, COG7 ERN1 2069/4885TLR2 3811/4885TLR1 3009/4885

“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.