SCHEMBL1825941

SCHEMBL1825941

O=Cc1ccc(NCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2A6 P11509 2/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A3 P47895 2/20 0.36
ALDH3A1 P30838 1/20 0.36
DRD1 P21728 3/20 0.36
EGFR P00533 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL22641731 0.94 DRD1 (0.44) ALDH5A1ABATALDH1A1KDM4ECYP2A6
SCHEMBL8651569 0.88 ALDH1A1 (0.43) ALDH5A1ABATALDH1A1KDM4EMAPT
SCHEMBL10063731 0.85 ALDH1A1 (0.49) ALDH5A1ABATALDH1A1KDM4EHSD17B10
SCHEMBL27791331 0.83 ALDH5A1 (0.46) ALDH5A1ABATALDH1A1KDM4ECYP2A6
SCHEMBL25196505 0.82 KCNH3 (0.47) ALDH5A1ABATALDH1A1KDM4EAPP
SCHEMBL6152657 0.82 MAPT (0.50) ALDH1A1KDM4EMAPTKCNH3LMNA
SCHEMBL9155213 0.79 MAPT (0.39) ALDH5A1ABATALDH1A1KDM4EMAPT
SCHEMBL22641717 0.79 SLC1A3 (0.38) ALDH1A1KDM4EMAPTALDH1A3APAF1
SCHEMBL11507189 0.79 MAPT (0.55) ALDH1A1KDM4EMAPTKCNH3LMNA
SCHEMBL12432958 0.79 APP (0.44) ALDH5A1ABATALDH1A1KDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286956-A1 1-ALKYL-5-ARYLIDENE-2-SELENOXOIMIDAZOLIDINE-4-ON AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION COMPRISING SAME FOR PREVENTING, ALLEVIATING OR TREATING NEURODEGENERATIVE DISEASES KNU- INDUSTRY COOPERATION FOUNDATION (KR) 2023-09-14 US disclosed
EP-4183776-A1 1-ALKYL-5-ARYLIDENE-2-SELENOXOIMIDAZOLIDINE-4-ON AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION COMPRISING SAME FOR PREVENTING, ALLEVIATING OR TREATING NEURODEGENERATIVE DISEASES Duksung Women's University Industry-Academic Cooperation Foundation (KR) 2023-05-24 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL INC (US) 2019-08-08 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20160317547-A1 Male Contraceptive Compositions And Methods Of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
CN-102249939-A Lipid-water amphiphilic benzylidene cyclopentanone dye, preparation method thereof and application thereof in photodynamic therapy CHINESE ACAD TECH INST PHYSICS 2011-11-23 CN disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
EP-2004756-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2008-12-24 EP disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 US disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 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 (4 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-20160317547-A1 Male Contraceptive Compositions And Methods Of Use SHBG, CYP19A1, CYP17A1 ALDH5A1 3664/4885ABAT 4833/4885ALDH1A1 1692/4885
US-20080021126-A1 Functionalized Photoinitiators PPOX, TYR, CYP1A1 ALDH5A1 327/4885ABAT 776/4885ALDH1A1 39/4885
US-20230286956-A1 1-ALKYL-5-ARYLIDENE-2-SELENOXOIMIDAZOLIDINE-4-ON AND DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, AND COMPOSITION COMPRISING SAME FOR PREVENTING, ALLEVIATING OR TREATING NEURODEGENERATIVE DISEASES PSEN2, PARK7, SNCA ALDH5A1 214/4885ABAT 330/4885ALDH1A1 1091/4885
US-20190241569-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K2, MAP3K1, MAP3K3 ALDH5A1 2307/4885ABAT 2628/4885ALDH1A1 880/4885

“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.