SCHEMBL2697097

SCHEMBL2697097

CCc1ccccc1C(=O)OCCO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
TSHR P16473 7/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
LMNA P02545 2/20 0.53
SCN1A P35498 4/20 0.50
SCN2A Q99250 4/20 0.50
SCN3A Q9NY46 4/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL30455175 0.90 TSHR (0.62) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL18669066 0.88 TSHR (0.63) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9279757 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6061788 0.86 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6440654 0.86 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6062258 0.86 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Acetic Acid SCHEMBL29214004 0.85 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27359798 0.85 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL36533 0.85 ALDH1A1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4257844 0.84 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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 6 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-8169090-B2 Encapsulating resin composition for preapplication, semiconductor device made with the same, and process for producing the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-05-01 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-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20090166897-A1 ENCAPSULATING RESIN COMPOSITION FOR PREAPPLICATION, SEMICONDUCTOR DEVICE MADE WITH THE SAME, AND PROCESS FOR PRODUCING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2009-07-02 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 867/4885TSHR 3638/4885TDP1 3497/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885TSHR 3680/4885TDP1 3483/4885

“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.