SCHEMBL10174733

SCHEMBL10174733

CCc1ccc(CC(=O)OC)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL12062913 0.90 ALDH1A1 (0.54) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL10309764 0.88 ALDH1A1 (0.53) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL25883697 0.87 PKM (0.43) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL4844663 0.85 ALDH1A1 (0.46) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL29284732 0.83 GAA (0.51) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL10175452 0.82 KMT2A (0.49) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL10015983 0.81 NPC1 (0.45) CYP4F2CYP4A11ALDH1A1SMN1; SMN2NPC1
SCHEMBL11209139 0.81 RXRA (0.50) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL3922071 0.79 EGFR (0.52) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL30582059 0.79 EGFR (0.52) ALDH1A1GAAGFERSMN1; SMN2NPC1

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
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

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 CYP4F2 455/4885CYP4A11 24/4885ALDH1A1 867/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 CYP4F2 387/4885CYP4A11 15/4885ALDH1A1 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.