SCHEMBL10174499

SCHEMBL10174499

CCc1ccccc1C1CCC(C(=O)OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR2 O43614 3/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
NAAA Q02083 1/20 0.38
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
SCHEMBL7135459 0.82 HCRTR2 (0.45) HCRTR2SLC6A2SLC6A4SLC6A3ASPH
SCHEMBL10175546 0.79 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10MAPTNPSR1
Propionaldehyde SCHEMBL27858275 0.77 HCRTR2 (0.41) ALDH1A1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL11828421 0.77 SLC6A4 (0.41) MAPTHCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL10174501 0.77 SMN1; SMN2 (0.45) ALDH1A1HPGDHSD17B10MAPTNPSR1
SCHEMBL17080017 0.76 KDM4E (0.46) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL181066 0.76 AKR1C3 (0.56) ALDH1A1HPGDHSD17B10MAPTNPSR1
SCHEMBL3540595 0.76 AKR1C3 (0.56) ALDH1A1HPGDHSD17B10MAPTNPSR1
SCHEMBL27969117 0.75 HCRTR2 (0.41) ALDH1A1MAPTHCRTR2SLC6A2SLC6A4
SCHEMBL12474580 0.75 PTGDR2 (0.44) HSD17B10MAPTHCRTR2SLC6A2SLC6A4

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 ALDH1A1 867/4885HPGD 518/4885HSD17B10 372/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885HPGD 449/4885HSD17B10 373/4885

“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.