SCHEMBL416868

SCHEMBL416868

CC(C)=CCC1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.46
NQO1 P15559 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CES2 O00748 1/20 0.46
GMNN O75496 1/20 0.46
TDP2 O95551 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP2D6 P10635 1/20 0.46
HSPD1 P10809 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL10141791 0.79 IDO1 (0.55) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL18791102 0.75 IDO1 (0.56) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL104948 0.71 IDO1 (0.45) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL104949 0.71 IDO1 (0.45) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL171092 0.71 IDO1 (0.45) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL104950 0.71 IDO1 (0.45) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL30076102 0.70 IDO1 (0.56) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL20811248 0.69 IDO1 (0.59) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL14439350 0.69 IDO1 (0.43) IDO1NQO1KDM4EMEN1ALDH1A1
SCHEMBL14439344 0.69 IDO1 (0.43) IDO1NQO1KDM4EMEN1ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545507-A4 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE INC (US) 2009-04-22 EP claimed
EP-1545507-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF Arqule, Inc. (US) 2005-06-29 EP claimed
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER 2004-10-21 US claimed
WO-2004007531-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-01-22 WO claimed
US-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same ARQULE, INC. (US) 2012-01-26 US disclosed
EP-1545507-A4 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE INC (US) 2009-04-22 EP disclosed
EP-2033638-A2 Beta-lapachone for the treatment of pancreatic cancer Arqule, Inc. (US) 2009-03-11 EP disclosed
EP-2033640-A2 Beta-lapachone for the treatment of lung cancer Arqule, Inc. (US) 2009-03-11 EP disclosed
EP-2033639-A2 Beta-lapachone for the treatment of colon cancer Arqule, Inc. (US) 2009-03-11 EP disclosed
EP-1729760-A2 USE OF BETA-LAPACHONE FOR THE TREATMENT OF LUNG CANCER Arqule, Inc. (US) 2006-12-13 EP disclosed
EP-1727536-A1 BETA-LAPACHONE AND S-PHASE DRUG COMBINATIONS FOR CANCER TREATMENT Arqule, Inc. (US) 2006-12-06 EP disclosed
EP-1722777-A2 USE OF BETA-LAPACHONE FOR THE TREATMENT OF PANCREATIC CANCER Arqule, Inc. (US) 2006-11-22 EP disclosed
US-20050192361-A1 Method of treatment of colon cancer ARQULE, INC. 2005-09-01 US disclosed
US-20050187288-A1 Beta-lapachone and methods of treating cancer ARQULE, INC. 2005-08-25 US disclosed
EP-1545507-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF Arqule, Inc. (US) 2005-06-29 EP disclosed
US-20050054018-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2005-03-10 US disclosed
US-20040253730-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2004-12-16 US disclosed
US-20040253216-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2004-12-16 US disclosed
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER 2004-10-21 US disclosed
WO-2004007531-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-01-22 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 (5 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-20040253730-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 IDO1 2294/4885NQO1 1671/4885KDM4E 2490/4885
US-20050192361-A1 Method of treatment of colon cancer MKI67, APC, TUBB1 IDO1 1591/4885NQO1 52/4885KDM4E 2882/4885
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 IDO1 2294/4885NQO1 1671/4885KDM4E 2490/4885
US-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same NFKB1, NFKBIA, CDC45 IDO1 4513/4885NQO1 2892/4885KDM4E 2598/4885
US-20040253216-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 IDO1 2294/4885NQO1 1671/4885KDM4E 2490/4885

“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.