SCHEMBL4142099

SCHEMBL4142099

CCCCCC=C(C)OC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
TSHR P16473 3/20 0.43
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TERT O14746 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4134519 0.94 TSHR (0.42) EP300TSHRFAAHTRPV1ALDH1A1
SCHEMBL4130593 0.85
SCHEMBL9950817 0.79 EP300 (0.44) EP300TSHRFAAHMEN1CYP3A4
SCHEMBL11461319 0.76 EP300 (0.43) EP300TSHRTRPV1MEN1CYP3A4
SCHEMBL11461320 0.76 EP300 (0.43) EP300TSHRTRPV1MEN1CYP3A4
SCHEMBL11801529 0.76 EP300 (0.48) EP300TSHRFAAHTRPV1MEN1
SCHEMBL11693855 0.76 EP300 (0.48) EP300TSHRFAAHTRPV1MEN1
SCHEMBL4952458 0.75 EP300 (0.48) EP300FAAHALDH1A1MEN1CYP3A4
SCHEMBL4952452 0.75 EP300 (0.48) EP300FAAHALDH1A1MEN1CYP3A4
SCHEMBL4142094 0.73 EP300 (0.42) EP300TSHRFAAHTRPV1MEN1

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-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

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 2895/4885FAAH 2347/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 EP300 2214/4885TSHR 3415/4885FAAH 2884/4885
US-20090099216-A1 NOVEL ADENINE COMPOUND ADORA1, CXCR6, NR0B1 EP300 706/4885TSHR 1269/4885FAAH 3442/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 EP300 967/4885TSHR 3563/4885FAAH 3047/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A EP300 2341/4885TSHR 3960/4885FAAH 2659/4885

“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.