SCHEMBL9815022

SCHEMBL9815022

COCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 5/20 0.45
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
THRB P10828 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL16328992 0.85 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL901166 0.84 KMT2A (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2939781 0.81 KMT2A (0.47) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2939780 0.81 KMT2A (0.47) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10945011 0.80 KMT2A (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL278717 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL20827637 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL12627456 0.80 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL18526169 0.79 PPARG (0.49) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10434347 0.79 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP claimed
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP claimed
EP-2004847-B1 OLIGONUCLEOTIDES COMPRISING SIGNALLING PAIRS AND HYDROPHOBIC NUCLEOTIDES, STEMLESS BEACONS, FOR DETECTION OF NUCLEIC ACIDS, METHYLATION STATUS AND MUTANTS OF NUCLEIC ACIDS PENTABASE APS (DK) 2017-05-03 EP disclosed
US-20130171027-A1 OXYGEN SENSORS BASED ON HARD-SOFT ACID-BASE RELATIONSHIPS HONEYWELL INTERNATIONAL INC. (US) 2013-07-04 US disclosed
US-8211881-B2 For detecting and measuring effects on biological membranes; cyclodextrins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-07-03 US disclosed
US-20080187947-A1 Cholesterol-Mimetic Pyrene Probes CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-08-07 US disclosed
US-7405262-B2 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2008-07-29 US disclosed
US-7405262-B2 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2008-07-29 US disclosed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP 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-20080187947-A1 Cholesterol-Mimetic Pyrene Probes CYP46A1, CETP, CYP27A1 ALDH1A1 4328/4885HPGD 712/4885HSD17B10 412/4885

“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.