SCHEMBL10174530

SCHEMBL10174530

CCc1cccc(C(=O)OCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.63
▸ CYP4F2 P78329 3/20 0.61
▸ CYP4A11 Q02928 3/20 0.61
▸ LMNA P02545 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MEP1B Q16820 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL13291593 0.91 CYP4F2 (0.62) SLC7A5CYP4F2CYP4A11LMNALOXL2
SCHEMBL23471000 0.88 SLC7A5 (0.65) SLC7A5CYP4F2CYP4A11LMNALOXL2
SCHEMBL3033016 0.88 LMNA (0.66) SLC7A5CYP4F2CYP4A11LMNALOXL2
SCHEMBL23471250 0.86 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11LOXL2TSHR
SCHEMBL134602 0.86 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LMNATSHR
SCHEMBL10174728 0.85 CYP4F2 (0.56) SLC7A5CYP4F2CYP4A11LMNALOXL2
SCHEMBL19634575 0.85 SLC7A5 (0.66) SLC7A5CYP4F2CYP4A11LMNALOXL2
SCHEMBL10706157 0.85 L3MBTL1 (0.57) CYP4F2CYP4A11LMNATSHRSMN1; SMN2
SCHEMBL129801 0.84 CYP4F2 (0.71) CYP4F2CYP4A11LOXL2TSHRMEP1B
SCHEMBL6537065 0.84 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11LMNATSHR

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 4 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-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 (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 SLC7A5 785/4885CYP4F2 455/4885CYP4A11 24/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 SLC7A5 880/4885CYP4F2 387/4885CYP4A11 15/4885

“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.

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