SCHEMBL4000992

SCHEMBL4000992

CCOC(=O)C1=C(O)c2ccccc2C(C)(CCC(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.44
MAPT P10636 14/20 0.44
LMNA P02545 11/20 0.44
KDM4E B2RXH2 10/20 0.44
HPGD P15428 9/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
PKM P14618 4/20 0.44
ATM Q13315 3/20 0.44
NPSR1 Q6W5P4 9/20 0.43
ALOX12 P18054 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MCL1 Q07820 2/20 0.43
HTT P42858 4/20 0.41
GAA P10253 2/20 0.41
CACNA1B Q00975 2/20 0.41
APBA1 Q02410 2/20 0.41
STAT3 P40763 1/20 0.40

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
SCHEMBL4985441 1.00 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4982412 1.00 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4006040 0.91 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4055312 0.88 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4002178 0.88 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL3999025 0.86 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4007063 0.85 MAPT (0.43) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4006738 0.84 DHODH (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL6510324 0.84 DHODH (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL3998738 0.84 DHODH (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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 9 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
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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 (3 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 ALDH1A1 2554/4885MAPT 3826/4885LMNA 3314/4885
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 ALDH1A1 311/4885MAPT 4086/4885LMNA 2647/4885
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A ALDH1A1 1531/4885MAPT 4141/4885LMNA 3922/4885

“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.