SCHEMBL10174745

SCHEMBL10174745

CCOCCOC(=O)c1ccc(CC)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
MMP1 P03956 4/20 0.42
MMP12 P39900 4/20 0.42
MMP9 P14780 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MMP2 P08253 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 4/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL3282173 0.86 LMNA (0.49) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL28607697 0.75 LMNA (0.48) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL5065716 0.73 LMNA (0.47) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL28921632 0.73 ALDH1A1 (0.57) ALDH1A1TSHRMMP1MMP12MMP9
SCHEMBL17797870 0.73 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL10503868 0.73 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL10504114 0.73 CYP4F2 (0.47) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL1160497 0.73 LMNA (0.55) ALDH1A1TSHRSMN1; SMN2MMP2HSD17B10
SCHEMBL27623880 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21060952 0.72 HIF1A (0.49) ALDH1A1MMP1MMP12MMP9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 867/4885TSHR 3638/4885MMP1 2919/4885

“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.