SCHEMBL4289539

SCHEMBL4289539

COc1cc(CCCCCCCCc2ccc(NC(C)=O)cc2)c2ccccc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL4289049 0.80 CYP19A1 (0.55)
SCHEMBL13624920 0.78 POLB (0.59) MAPTRAB9AKDM4ECYP1A2CYP2C9
SCHEMBL9189846 0.77 MAPT (0.60) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12630202 0.75 PTPN1 (0.64) MAPTRAB9AKDM4ECYP2C9NPC1
SCHEMBL11116153 0.73 SMN1; SMN2 (0.59) MAPTRAB9AKDM4ENPC1ALDH1A1
SCHEMBL4297772 0.70 HDAC1 (0.43) MAPTRAB9AKDM4ECYP1A2CYP2C9
SCHEMBL4297767 0.70 HDAC1 (0.43) MAPTRAB9AKDM4ECYP1A2CYP2C9
SCHEMBL13624922 0.70 HDAC1 (0.43) MAPTRAB9AKDM4ECYP1A2CYP2C9
SCHEMBL1902060 0.70 SMN1; SMN2 (0.59) MAPTRAB9AKDM4ECYP1A2NPC1
SCHEMBL9815084 0.70 KDM4E (0.59) MAPTRAB9AKDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
EP-1574507-A2 Furo- and pyrano-naphthoquinones and their use in the treatment of cancer SLIL Biomedical Corporation (US) 2005-09-14 EP disclosed
EP-1185493-B1 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORP (US) 2005-07-20 EP disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 US disclosed
US-6809176-B2 Quinones as disease therapies SLIL BIOMEDICAL, CORPORATION 2004-10-26 US disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed
US-20030013677-A1 QUINONES AS DISEASE THERAPIES CELLGATE, INC. 2003-01-16 US disclosed
US-20020183512-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-12-05 US disclosed
US-6482943-B1 Quinones as disease therapies SLIL BIOMEDICAL CORPORATION 2002-11-19 US disclosed
EP-1185493-A1 QUINONES FOR TREATMENT OF DISEASES SLIL Biomedical Corporation (US) 2002-03-13 EP disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066528-A2 QUINONES FOR TREATMENT OF DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 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 (7 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-20050010060-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB MAPT 2177/4885RAB9A 714/4885KDM4E 2127/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV MAPT 3032/4885RAB9A 1201/4885KDM4E 3776/4885
US-20030013677-A1 QUINONES AS DISEASE THERAPIES NQO1, NDUFV2, SDHB MAPT 1738/4885RAB9A 793/4885KDM4E 2418/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 MAPT 2473/4885RAB9A 1313/4885KDM4E 3918/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV MAPT 3032/4885RAB9A 1201/4885KDM4E 3776/4885
US-20020183512-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB MAPT 2177/4885RAB9A 714/4885KDM4E 2127/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV MAPT 3032/4885RAB9A 1201/4885KDM4E 3776/4885

“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.