SCHEMBL1882709

SCHEMBL1882709

CCO/C=C/C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 4/20 0.39
CASP1 P29466 1/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1882710 1.00 TSHR (0.52) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL17335743 0.89 HCAR2 (0.39) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL7206488 0.88 TSHR (0.55) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL7680695 0.88 TSHR (0.55) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1878842 0.82 ATM (0.52) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL6448408 0.82 HCAR2 (0.59) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL7718244 0.82 HCAR2 (0.59) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL94677 0.81 HCAR2 (0.58) ALDH1A1MAPTHCAR2CASP1ATM
SCHEMBL6445496 0.81 HCAR2 (0.58) ALDH1A1MAPTHCAR2CASP1ATM
SCHEMBL94676 0.81 HCAR2 (0.58) ALDH1A1MAPTHCAR2CASP1ATM

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 6 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
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 231/4885HPGD 845/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA TSHR 3311/4885ALDH1A1 231/4885HPGD 845/4885

“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.