SCHEMBL10174604

SCHEMBL10174604

CCc1cccc(CCO)c1C(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.41
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HTT P42858 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13354976 0.79 CA12 (0.47) PLK1GABRA1GABRB2HTTBID
SCHEMBL23939824 0.77 KDM4E (0.43) PLK1GABRA1GABRB2HDAC8HDAC6
SCHEMBL14731237 0.77 GAA (0.50) PLK1GABRA1GABRB2HTT
SCHEMBL11743421 0.75 GAA (0.52) PLK1HTTKDM4EALDH1A1
SCHEMBL3022571 0.71 GABRA1 (0.48) GABRA1GABRB2ALDH1A1
SCHEMBL13761462 0.70 GABRA1 (0.74) GABRA1GABRB2
Propane SCHEMBL8435833 0.69 GABRA1 (0.43) GABRA1GABRB2HTTHDAC8KDM4E
SCHEMBL20972350 0.69 PLK1 (0.50) PLK1GABRA1GABRB2HTTKDM4E
SCHEMBL12280908 0.69 GABRA1 (0.52) GABRA1GABRB2HTTALDH1A1SCN5A
SCHEMBL5954191 0.68 GAA (0.57) PLK1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US 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 (2 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 PLK1 3289/4885GABRA1 1764/4885GABRB2 2280/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 PLK1 2869/4885GABRA1 1951/4885GABRB2 2227/4885

“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.