SCHEMBL3835331

SCHEMBL3835331

O/N=C/c1sccc1C1OCCO1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 2/20 0.32
DRD3 P35462 1/20 0.32
KEAP1 Q14145 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3835333 1.00 ALDH1A1 (0.46) ALDH1A1POLBPKMDRD3KEAP1
SCHEMBL22733816 0.77 ALDH1A1 (0.46) ALDH1A1POLBDRD3KEAP1
SCHEMBL6421685 0.72 ALDH1A1 (0.45) ALDH1A1POLBDRD3KEAP1
SCHEMBL6421680 0.72 ALDH1A1 (0.45) ALDH1A1POLBDRD3KEAP1
SCHEMBL6757801 0.71 KEAP1 (0.37) ALDH1A1POLBDRD3KEAP1ATM
SCHEMBL13647005 0.69 ALDH1A1 (0.34) ALDH1A1POLBDRD3KEAP1
SCHEMBL3835678 0.69 ALDH1A1 (0.34) ALDH1A1POLBDRD3KEAP1
SCHEMBL470176 0.69 KEAP1 (0.38) ALDH1A1POLBDRD3KEAP1
SCHEMBL6420253 0.67 KEAP1 (0.37) ALDH1A1POLBDRD3KEAP1
SCHEMBL3101559 0.67 ALDH1A1 (0.40) ALDH1A1POLBDRD3KEAP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
US-7091209-B2 Dihydroxypyridmidine carboxylic acids as viral polymerase inhibitors MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECULARE P ANGELETTI SPA (IT) 2004-06-03 US disclosed
EP-1309566-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-05-14 EP disclosed
WO-2002006246-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2002-01-24 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-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors DPYD, DUT, UMPS ALDH1A1 23/4885POLB 62/4885PKM 1331/4885

“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.