SCHEMBL4142097

SCHEMBL4142097

CCCCCC=C(C)O[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
TSHR P16473 1/20 0.37
LPAR3 Q9UBY5 1/20 0.34
TERT O14746 3/20 0.33
FAAH O00519 3/20 0.33
PTPN1 P18031 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
PPARG P37231 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL4142094 1.00 EP300 (0.42) EP300TSHRLPAR3TERTFAAH
SCHEMBL4134513 0.94 TSHR (0.36) EP300TSHRLPAR3F7F3
SCHEMBL4134517 0.94 TSHR (0.36) EP300TSHRLPAR3F7F3
SCHEMBL4130590 0.85
SCHEMBL4130591 0.85
SCHEMBL6721978 0.76
SCHEMBL11801529 0.74 EP300 (0.48) EP300TSHRTERTFAAHPTPN1
SCHEMBL11461319 0.74 EP300 (0.43) EP300TSHRLPAR3KMT2ATRPV1
SCHEMBL11693855 0.74 EP300 (0.48) EP300TSHRTERTFAAHPTPN1
SCHEMBL11461320 0.74 EP300 (0.43) EP300TSHRLPAR3KMT2ATRPV1

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 EP300 1419/4885TSHR 2895/4885LPAR3 2229/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 EP300 2214/4885TSHR 3415/4885LPAR3 1791/4885
US-20090099216-A1 NOVEL ADENINE COMPOUND ADORA1, CXCR6, NR0B1 EP300 706/4885TSHR 1269/4885LPAR3 538/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 EP300 967/4885TSHR 3563/4885LPAR3 990/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A EP300 2341/4885TSHR 3960/4885LPAR3 1579/4885

“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.