SCHEMBL4145243

SCHEMBL4145243

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CTSK P43235 5/20 0.33

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
SCHEMBL3110698 0.79
SCHEMBL4145247 0.76 TSHR (0.38) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL29678590 0.75 DNM1 (0.41) TSHRSMN1; SMN2
SCHEMBL3456360 0.73 TSHR (0.31) TSHR
SCHEMBL4127936 0.72 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL4134938 0.72
SCHEMBL4127937 0.71 TSHR (0.40) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL28182600 0.71 DNM1 (0.38) TSHRSMN1; SMN2
SCHEMBL9368619 0.71
SCHEMBL270381 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-1939200-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-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 2895/4885SMN1; SMN2 1745/4885ADH1B 86/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TSHR 3415/4885SMN1; SMN2 1327/4885ADH1B 157/4885
US-20090099216-A1 NOVEL ADENINE COMPOUND ADORA1, CXCR6, NR0B1 TSHR 1269/4885SMN1; SMN2 1803/4885ADH1B 274/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TSHR 3563/4885SMN1; SMN2 2258/4885ADH1B 112/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A TSHR 3960/4885SMN1; SMN2 986/4885ADH1B 214/4885

“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.