SCHEMBL10175010

SCHEMBL10175010

CCC(=O)OCc1cncc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34
GAA P10253 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
TKT P29401 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6976950 0.83 ALDH1A1 (0.47) ATMHCAR2ALDH1A1CYP2C19CYP2C9
SCHEMBL28145783 0.80 PARP10 (0.44) ALDH1A1HPGDCYP2C19CYP1A2BLM
SCHEMBL8255691 0.78 SMN1; SMN2 (0.43) ATMHCAR2ALDH1A1CYP2C19CYP2C9
SCHEMBL30178455 0.75 CYP4F2 (0.53) ATMHCAR2ALDH1A1HPGDCYP2C19
SCHEMBL11703597 0.75 MMP2 (0.54) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL11782618 0.74 MAPT (0.38) ALDH1A1HPGDCYP2C19CYP1A2BLM
SCHEMBL12164761 0.74 HCAR2 (0.44) ATMHCAR2CYP2C19CYP2C9NAMPT
SCHEMBL10175216 0.73 KMT2A (0.53) ALDH1A1CYP1A2CYP2C9NAMPTCYP3A4
SCHEMBL18705930 0.73 ATM (0.41) ATMHCAR2ALDH1A1HPGDCYP2C19
SCHEMBL3134365 0.73 ALDH1A1 (0.50) ALDH1A1GAAMAPT

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 9 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 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-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
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 ATM 3632/4885HCAR2 67/4885ALDH1A1 867/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ATM 3748/4885HCAR2 63/4885ALDH1A1 875/4885

“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.