SCHEMBL4663055

SCHEMBL4663055

C=C(C)CCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.43
TEAD3 Q99594 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 1/20 0.41
NAAA Q02083 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
SCHEMBL1109806 0.89 TSHR (0.52) L3MBTL1TDP1TSHRALDH1A1HTT
SCHEMBL25829241 0.87 L3MBTL1 (0.52) L3MBTL1TDP1TSHRALDH1A1TEAD3
SCHEMBL24006263 0.82 TSHR (0.48) L3MBTL1TDP1TSHRTEAD3HTT
SCHEMBL543078 0.82 ALDH1A1 (0.53) L3MBTL1TDP1TSHRALDH1A1TEAD3
SCHEMBL25796839 0.81 TSHR (0.44) L3MBTL1TDP1TSHRALDH1A1TEAD3
SCHEMBL7106989 0.80 TSHR (0.56) L3MBTL1TDP1TSHRALDH1A1HTT
SCHEMBL721274 0.79 EPHX2 (0.48) L3MBTL1TDP1TSHRALDH1A1TEAD3
SCHEMBL30937230 0.79 ALDH1A1 (0.53) L3MBTL1TDP1TSHRALDH1A1HTT
SCHEMBL19040806 0.79 L3MBTL1 (0.50) L3MBTL1TDP1TSHRTEAD3HTT
SCHEMBL11145254 0.78 TSHR (0.71) TSHRALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268525-B1 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORP (US) 2008-12-31 EP disclosed
US-6846802-B2 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties SCHERING CORPORATION (US) 2005-01-25 US disclosed
CN-1441806-A Macrocyclic NS 3-serine protease inhibitors of hepatitis C virus comprising an N-ring P2 moiety SCHERING CORP (US) 2003-09-10 CN disclosed
EP-1268525-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORPORATION (US) 2003-01-02 EP disclosed
US-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties SCHERING CORPORATION 2002-08-08 US disclosed
WO-2001077113-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORPORATION (US) 2001-10-18 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-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties HPN, TMPRSS15, HAVCR2 L3MBTL1 3234/4885TDP1 3335/4885TSHR 4693/4885

“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.