SCHEMBL4127936

SCHEMBL4127936

CCCCC(C)C#C[C]=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
CA2 P00918 3/20 0.31
CA1 P00915 3/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 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
SCHEMBL29678590 0.80 DNM1 (0.41) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL4134938 0.76
SCHEMBL9368619 0.75
SCHEMBL3026952 0.75
SCHEMBL270381 0.75
SCHEMBL28182600 0.75 DNM1 (0.38) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL8603359 0.73
SCHEMBL4145243 0.72 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL4842062 0.71
SCHEMBL21367093 0.71

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-1939201-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

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 2895/4885SMN1; SMN2 1745/4885FDPS 2159/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TSHR 3415/4885SMN1; SMN2 1327/4885FDPS 3054/4885
US-20090099216-A1 NOVEL ADENINE COMPOUND ADORA1, CXCR6, NR0B1 TSHR 1269/4885SMN1; SMN2 1803/4885FDPS 3279/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TSHR 3563/4885SMN1; SMN2 2258/4885FDPS 2914/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A TSHR 3960/4885SMN1; SMN2 986/4885FDPS 3072/4885

“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.