SCHEMBL3778699

SCHEMBL3778699

CCCCCCN(CCCCCC)c1ccc(C(=O)c2ccccc2C(=O)OCC(O)C2OC(=O)C(O)=C2O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ TST Q16762 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ ACP1 P24666 2/20 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
SCHEMBL3771807 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3769984 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3771212 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3783878 0.99 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL2791873 0.90 SMN1; SMN2 (0.53) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL2791869 0.90 SMN1; SMN2 (0.53) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL13013520 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL3782310 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL13013522 0.86 MAPT (0.44) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL13013509 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBGAAMAPT

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-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 — — US disclosed
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 — — US disclosed
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 — — US disclosed
WO-2009097951-A1 UVA FILTER BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2009-08-13 — — WO 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-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES C1R, VDR, C1S ALDH1A1 80/4885KDM4E 3422/4885POLB 2018/4885

“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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