SCHEMBL4134513

SCHEMBL4134513

CCCC/C=C(\C)O[C]=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
EP300 Q09472 1/20 0.35
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 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
SCHEMBL4134517 1.00 TSHR (0.36) TSHREP300GRIK1ALDH1A1LPAR1
SCHEMBL4142094 0.94 EP300 (0.42) TSHREP300LPAR3F7F3
SCHEMBL4142097 0.94 EP300 (0.42) TSHREP300LPAR3F7F3
SCHEMBL4130590 0.87
SCHEMBL4130591 0.87
SCHEMBL6721978 0.78
SCHEMBL6721980 0.78
SCHEMBL6911096 0.75 TSHR (0.38) TSHREP300GRIK1ALDH1A1LPAR1
SCHEMBL6911093 0.75 TSHR (0.38) TSHREP300GRIK1ALDH1A1LPAR1
SCHEMBL6060318 0.74 ALDH1A1 (0.43) TSHREP300GRIK1ALDH1A1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192153-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-07-30 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090099216-A1 NOVEL ADENINE COMPOUND ASTRAZENECA AKTIEBOLAG A CORPORATION OF SWEDEN (SE) 2009-04-16 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939198-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939200-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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 (5 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TSHR 2895/4885EP300 1419/4885GRIK1 3467/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TSHR 3415/4885EP300 2214/4885GRIK1 2785/4885
US-20090099216-A1 NOVEL ADENINE COMPOUND ADORA1, CXCR6, NR0B1 TSHR 1269/4885EP300 706/4885GRIK1 1235/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TSHR 3563/4885EP300 967/4885GRIK1 3423/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A TSHR 3960/4885EP300 2341/4885GRIK1 1941/4885

“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.