SCHEMBL4006635

SCHEMBL4006635

COc1ccc(C(C)(CCC(C)C)C(=O)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIF11 P52732 1/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 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
SCHEMBL3997211 0.87 KIF11 (0.47) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL4006850 0.85 LMNA (0.47) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL3999614 0.82 HPGD (0.38) LMNAALDH1A1MAPK1MAPTMEN1
SCHEMBL4000408 0.82 HPGD (0.38) LMNAALDH1A1MAPK1MAPTMEN1
SCHEMBL3999630 0.80 TDP1 (0.42) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL19652451 0.76 LMNA (0.41) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL17718567 0.76 LMNA (0.41) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL18053874 0.74 BACE1 (0.42) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL1937515 0.72 MAPT (0.51) LMNATDP1ALDH1A1ALOX15APEX1
SCHEMBL13903490 0.70 KCNN4 (0.50) KIF11MAPTMEN1KMT2ANPC1

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
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 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 (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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT LMNA 3314/4885TDP1 3264/4885ALDH1A1 2554/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT LMNA 2647/4885TDP1 1240/4885ALDH1A1 311/4885

“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.