SCHEMBL10174679

SCHEMBL10174679

CCCCc1c(C(=O)OC)cccc1N1CCC(C(=O)OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LGMN Q99538 1/20 0.39

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
SCHEMBL10309772 0.89 ALDH1A1 (0.48) ALDH1A1GAAHPGDKMT2ARAB9A
SCHEMBL10174507 0.89 MAPT (0.44) ALDH1A1GAATSHRHPGDKMT2A
SCHEMBL10309753 0.76 ALDH1A1 (0.52) ALDH1A1GAATSHRHPGDKMT2A
SCHEMBL10175375 0.76 MAPT (0.47) ALDH1A1THRATHRBKMT2AKDM4E
SCHEMBL10174748 0.76 KDM4E (0.46) ALDH1A1TSHRHPGDTHRBKMT2A
SCHEMBL30165840 0.73 KDM4E (0.40) ALDH1A1HPGDKMT2ARAB9ANPC1
SCHEMBL20161944 0.72 CXCR5 (0.47) ALDH1A1TSHRKMT2AKDM4EMAPT
SCHEMBL28849115 0.71 ALDH1A1 (0.65) ALDH1A1TSHRHPGDKMT2ARAB9A
SCHEMBL19094486 0.71 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AKDM4EHTT
SCHEMBL28271136 0.70 ALDH1A1 (0.52) ALDH1A1GAATSHRHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 867/4885GAA 4664/4885TSHR 3638/4885

“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.