SCHEMBL10175290

SCHEMBL10175290

CCC(=O)CCC(=O)OCCF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 2/20 0.42
BLM P54132 1/20 0.42
DGKA P23743 1/20 0.41
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 3/20 0.34
DNM1 Q05193 1/20 0.34
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL10040256 0.84 ADRA2A (0.50) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL28189011 0.83 HTR2C (0.52) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL9753249 0.80
SCHEMBL975665 0.80
SCHEMBL3954254 0.79 HTR2C (0.62) HTR2CADRA2AADRA1AMAPTBLM
Hydrochloric Acid SCHEMBL27556740 0.78 DGKA (0.48) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL28000929 0.78 ADRA2A (0.46) HTR2CADRA2AADRA1AMAPTBLM
SCHEMBL135579 0.78 GAA (0.52) HTR2CLMNACYP1A2TDP1ALDH1A1
SCHEMBL5518277 0.77
SCHEMBL28270743 0.77 DGKA (0.63) HTR2CMAPTDGKANAAAKDM4E

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 HTR2C 808/4885ADRA2A 126/4885ADRA1A 52/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 HTR2C 732/4885ADRA2A 113/4885ADRA1A 48/4885

“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.