SCHEMBL1885097

SCHEMBL1885097

CC(C)COC(=O)CC(OC(C)C)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 1/20 0.37
PRKCA P17252 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 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
SCHEMBL11088380 0.81 TSHR (0.42) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1880735 0.81 TSHR (0.42) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1878324 0.81 MGAM (0.46) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL128660 0.80 TSHR (0.48) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1880149 0.79 ALDH1A1 (0.40) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL27259225 0.78 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL2500451 0.78 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL235327 0.78 TSHR (0.46) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1879376 0.78 TSHR (0.39) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL1882188 0.76 TSHR (0.38) TSHRALDH1A1PRKCATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
CN-100404479-C Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2008-07-23 CN disclosed
CN-1871188-A Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2006-11-29 CN disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 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 (2 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA TSHR 3311/4885ALDH1A1 231/4885PRKCA 4106/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA TSHR 3311/4885ALDH1A1 231/4885PRKCA 4106/4885

“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.