SCHEMBL1901448

SCHEMBL1901448

CCCCCc1ccc2cc(N(C)C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
BCHE P06276 3/20 0.46
BDKRB2 P30411 1/20 0.44
TLR8 Q9NR97 4/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 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
SCHEMBL23881610 0.98 SIGMAR1 (0.50) SIGMAR1BCHEBDKRB2TLR8ESR1
SCHEMBL15131776 0.87 SIGMAR1 (0.47) SIGMAR1BCHEBDKRB2ALDH1A1CYP3A4
Alanine SCHEMBL4410771 0.85 S1PR1 (0.43) SIGMAR1ALDH1A1
Alanine SCHEMBL4410773 0.85 S1PR1 (0.43) SIGMAR1ALDH1A1
SCHEMBL6563401 0.85 BDKRB2 (0.55) SIGMAR1BDKRB2TLR8ESR1ADRA2A
SCHEMBL11222681 0.83 PTGS2 (0.57) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL27844768 0.83 PTGS2 (0.57) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL27995689 0.83 PTGS2 (0.57) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL11690859 0.83 PTGS2 (0.57) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL20633866 0.81 CHKA (0.56) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140234862-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-08-21 US claimed
US-20120225447-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF IIIINOIS (US) 2012-09-06 US claimed
WO-2011057063-A2 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-05-12 WO claimed
US-11517530-B2 Therapeutic agents specifically delivered by exosomes for cancer treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-06 US disclosed
US-20210161817-A1 THERAPEUTIC AGENTS SPECIFICALLY DELIVERED BY EXOSOMES FOR CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-06-03 US disclosed
WO-2019067464-A1 THERAPEUTIC AGENTS SPECIFICALLY DELIVERED BY EXOSOMES FOR CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-04-04 WO disclosed
US-20160274123-A1 One-Photon and/or Two-Photon Fluorescent Probe for Sensing Hydrogen Sulfide, Imaging Method of Hydrogen Sulfide Using Same, and Manufacturing Method Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-09-22 US disclosed
US-20160274123-A1 One-Photon and/or Two-Photon Fluorescent Probe for Sensing Hydrogen Sulfide, Imaging Method of Hydrogen Sulfide Using Same, and Manufacturing Method Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-09-22 US disclosed
US-9353399-B2 Two-photon absorbing compound with methods of synthesis and use POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-05-31 US disclosed
WO-2015072627-A1 ONE-PHOTON AND/OR TWO-PHOTON FLUORESCENT PROBE FOR SENSING HYDROGEN SULFIDE, IMAGING METHOD OF HYDROGEN SULFIDE USING SAME, AND MANUFACTURING METHOD THEREOF 포항공과대학교 산학협력단 2015-05-21 WO disclosed
WO-2015072627-A1 ONE-PHOTON AND/OR TWO-PHOTON FLUORESCENT PROBE FOR SENSING HYDROGEN SULFIDE, IMAGING METHOD OF HYDROGEN SULFIDE USING SAME, AND MANUFACTURING METHOD THEREOF 포항공과대학교 산학협력단 2015-05-21 WO disclosed
US-20140377791-A1 NOVEL TWO-PHOTON ABSORBING FLUORESCENT SUBSTANCE, AND SUBSTRATE SENSING METHOD USING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-12-25 US disclosed
US-20140234862-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-08-21 US disclosed
US-8686115-B2 Compositions and methods for quantitatively monitoring lipids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-04-01 US disclosed
US-20120225447-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF IIIINOIS (US) 2012-09-06 US disclosed
US-20120225447-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF IIIINOIS (US) 2012-09-06 US disclosed
WO-2011057063-A3 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-22 WO disclosed
WO-2011057063-A2 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-05-12 WO disclosed
WO-2011057063-A2 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-05-12 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 (2 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-20120225447-A1 COMPOSITIONS AND METHODS FOR QUANTITATIVELY MONITORING LIPIDS PLA2G4B, PLA2G1B, DGKB SIGMAR1 4240/4885BCHE 3255/4885BDKRB2 750/4885
US-20140377791-A1 NOVEL TWO-PHOTON ABSORBING FLUORESCENT SUBSTANCE, AND SUBSTRATE SENSING METHOD USING SAME MAOA, MAOB, PDE1A SIGMAR1 1103/4885BCHE 212/4885BDKRB2 1154/4885

“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.