SCHEMBL10175183

SCHEMBL10175183

CCC(=O)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MMP12 P39900 2/20 0.50
IDO1 P14902 2/20 0.50
MMP1 P03956 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 6/20 0.47
FFAR1 O14842 2/20 0.47
PPARA Q07869 4/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6026962 0.86 IDO1 (0.53) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL7641621 0.85 ALDH1A1 (0.52) KMT2AMEN1CYP1A2CYP2C19POLB
SCHEMBL24241996 0.83 MAOB (0.49) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL11740623 0.83 MAOB (0.52) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL22857498 0.83 PPARA (0.47) MAOBKMT2AMEN1PPARGFFAR1
SCHEMBL6921092 0.83 IDO1 (0.55) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL13542853 0.82 ALDH1A1 (0.58) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL25290310 0.82 IDO1 (0.57) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL6026958 0.81 MMP12 (0.49) MAOBMMP12IDO1MMP1KMT2A
SCHEMBL23135859 0.81 MAOB (0.47) MAOBMMP12IDO1MMP1KMT2A

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 8 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
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 MAOB 1202/4885MMP12 3566/4885IDO1 436/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 MAOB 901/4885MMP12 2973/4885IDO1 215/4885

“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.