SCHEMBL3265467

SCHEMBL3265467

C=CCc1ccccc1C1CC(=O)NC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 7/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
MTNR1A P48039 1/20 0.35
IDO1 P14902 1/20 0.35
GABRA1 P14867 1/20 0.34

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
SCHEMBL28533470 0.78 GABRA1 (0.41) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL9614876 0.75 GABRA1 (0.39) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL18668719 0.75 KMT2A (0.40) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL251314 0.73 PTGDR2 (0.40) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL14159147 0.72 KDM4E (0.39) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL11422337 0.71 GABRA1 (0.40) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL8609210 0.71 KDM4E (0.39) GAAALOX15KDM4ELMNACYP1A2
2-Allylphenol SCHEMBL10426340 0.70 GABRA1 (0.42) GAAALOX15KDM4ELMNACYP1A2
SCHEMBL21885665 0.69 BRD4 (0.51) LMNACYP3A4CYP2D6CYP2C9HTT
SCHEMBL30436948 0.69 BRD4 (0.51) LMNACYP3A4CYP2D6CYP2C9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130101615-A1 METHODS FOR PREVENTING OR TREATING A DISEASE OR CONDITION ASSOCIATED WITH MYCOBACTERIUM AVIUM SUBSPECIES PARATUBERCULOSIS GREENSTEIN ROBERT J (US) 2013-04-25 US disclosed
US-20100093829-A1 METHODS FOR PREVENTING, POSTPONING OR IMPROVING THE OUTCOME OF SPINAL DEVICE AND FUSION PROCEDURES BIOASSETS DEVELOPMENT CORPORATION 2010-04-15 US disclosed
US-20100047235-A1 NOVEL REGIMENS FOR TREATING DISEASES AND DISORDERS BIOASSETS DEVELOPMENT CORPORATION 2010-02-25 US disclosed
US-20100040609-A1 METHODS FOR PREVENTING, POSTPONING OR IMPROVING THE OUTCOME OF INVASIVE SPINAL PROCEDURES BIOASSETS DEVELOPMENT CORPORATION 2010-02-18 US disclosed
US-20090054380-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection GREENSTEIN ROBERT J 2009-02-26 US disclosed
US-7479499-B2 Methods of using thalidomide in combination with irinotecan CELGENE CORPORATION (US) 2009-01-20 US disclosed
US-20090012048-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection GREENSTEIN ROBERT J 2009-01-08 US disclosed
US-7435726-B2 Compositions and methods for the treatment of cancer CELGENE CORPORATION (US) 2008-10-14 US disclosed
US-20080019970-A1 METHODS FOR PREVENTING, POSTPONING OR IMPROVING THE OUTCOME OF SPINAL DEVICE AND FUSION PROCEDURES BIOASSETS DEVELOPMENT CORPORATION 2008-01-24 US disclosed
US-20080019975-A1 Novel Regimens for Treating Diseases and Disorders BIOASSETS DEVELOPMENT CORPORATION 2008-01-24 US disclosed
US-6914067-B2 Compositions and methods for the treatment of colorectal cancer CELGENE CORPORATION (US) 2005-07-05 US disclosed
EP-1343500-A2 COMPOSITIONS COMPRISING TEMOZOLOMIDE AND THALIDOMIDE AND METHODS FOR THE TREATMENT OF CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2003-09-17 EP disclosed
EP-1307197-A2 COMPOSITIONS FOR THE TREATMENT OF CANCER COMPRISING A TOPOISOMERASE INHIBITOR AND THALIDOMIDE CELGENE CORPORATION (US) 2003-05-07 EP disclosed
EP-1286671-A2 COMPOSITIONS FOR THE TREATMENT OF COLORECTAL CANCER COMPRISING THALIDOMIDE AND IRINOTECAN CELGENE CORPORATION (US) 2003-03-05 EP disclosed
US-20020128228-A1 Using temozolomide and thalidomide; side effect reduction; improve the efficacy of either drug when used alone against cancer or to improve the tolerability of either drug MEMORIAL SLOAN-KETTERING CANCER CENTER 2002-09-12 US disclosed
WO-2002043720-A2 COMPOSITIONS COMPRISING TEMOZOLOMIDE AND THALIDOMIDE AND METHODS FOR THE TREATMENT OF CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-06 WO disclosed
US-20020035090-A1 Compositions and methods for the treatment of cancer CELGENE CORPORATION 2002-03-21 US disclosed
US-20020035091-A1 Compositions and methods for the treatment of colorectal cancer BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2002-03-21 US disclosed
WO-2001087306-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF COLORECTAL CANCER CELGENE CORP. (US) 2001-11-22 WO disclosed
WO-2001087307-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELGENE CORP. (US) 2001-11-22 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 (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-20130101615-A1 METHODS FOR PREVENTING OR TREATING A DISEASE OR CONDITION ASSOCIATED WITH MYCOBACTERIUM AVIUM SUBSPECIES PARATUBERCULOSIS HLA-DRB1, CD14, HLA-C GAA 478/4885ALOX15 766/4885KDM4E 4773/4885
US-20090054380-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection MAPT, MAP7, MAPK1 GAA 394/4885ALOX15 2807/4885KDM4E 4101/4885
US-20090012048-A1 Methods for diagnosing and treating a mycobacterium avium subspecies paratuberculosis infection MAPT, MAP7, MAPK1 GAA 394/4885ALOX15 2807/4885KDM4E 4101/4885

“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.