SCHEMBL122993

SCHEMBL122993

CCC(N)(CC)COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
MAOB P27338 1/20 0.41

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
SCHEMBL10062561 0.76 LTA4H (0.63) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27876154 0.75 LTA4H (0.55) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8639571 0.75 LTA4H (0.44) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8641926 0.73 LTA4H (0.44) LTA4HS1PR1S1PR3
SCHEMBL7440978 0.73 L3MBTL1 (0.69) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1912758 0.72 LTA4H (0.71) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9617469 0.72 LTA4H (0.57) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL930342 0.72 NQO1 (0.33)
SCHEMBL570564 0.70 L3MBTL1 (0.70) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11844142 0.70 RXRA (0.60) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424500-A1 LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 EP disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
WO-2010127198-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO disclosed
WO-2010127192-A1 LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO disclosed
EP-2038252-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2009-03-25 EP disclosed
WO-2008008433-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-01-17 WO disclosed
EP-1539123-A1 USE OF A COMBINATION OF DPPE WITH OTHER CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF BREAST CANCER The University of Manitoba (CA) 2005-06-15 EP disclosed
WO-2004024131-A1 USE OF A COMBINATION OF DPPE WITH OTHER CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF BREAST CANCER THE UNIVERSITY OF MANITOBA (CA) 2004-03-25 WO disclosed
EP-0737067-A1 METHOD OF TREATMENT OF HORMONE-UNRESPONSIVE METASTATIC PROSTATE CANCER UNIVERSITY OF MANITOBA (CA) 1996-10-16 EP disclosed
EP-0684817-A1 CANCER TREATMENT UNIVERSITY OF MANITOBA (CA) 1995-12-06 EP disclosed
WO-1995017887-A1 METHOD OF TREATMENT OF HORMONE-UNRESPONSIVE METASTATIC PROSTATE CANCER UNIVERSITY OF MANITOBA (CA) 1995-07-06 WO disclosed
WO-1994018961-A1 CANCER TREATMENT UNIVERSITY OF MANITOBA (CA) 1994-09-01 WO disclosed
EP-0563127-A1 IMPROVED TREATMENT METHOD FOR CANCER. UNIV MANITOBA (CA) 1993-10-06 EP disclosed
WO-1992011035-A1 IMPROVED TREATMENT METHOD FOR CANCER UNIVERSITY OF MANITOBA (CA) 1992-07-09 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 (1 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 LTA4H 1688/4885CYP1A2 3744/4885CYP2D6 2993/4885

“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.