SCHEMBL40436

SCHEMBL40436

C[C](CF)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL2703111 0.81 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL6744925 0.81 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL28624111 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL28908802 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7054415 0.78 ALDH1A1 (0.63) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27313233 0.78 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL40338 0.78 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL18427393 0.78 ALDH1A1 (0.68) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27906426 0.78 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8621465 0.78 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

Appears in 4098 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2037762-A4 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L (US) 2009-07-08 EP claimed
EP-2037762-A1 METHOD TO PREPARE PURE CURCUMIN Kim, Darrick S.H.L. (US) 2009-03-25 EP claimed
WO-2007143635-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S (US) 2007-12-13 WO claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed