SCHEMBL41140

SCHEMBL41140

[c]1ccccccccc1-c1ccccccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL38202 1.00 ALDH1A1 (0.42) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL28544762 0.97 ALDH1A1 (0.40) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL769959 0.95 ALDH1A1 (0.45) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL769634 0.95 ALDH1A1 (0.45) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL25097 0.95 ALDH1A1 (0.45) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL183516 0.94 ALDH1A1 (0.35) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL26516 0.89 ALDH1A1 (0.42) ALDH1A1MAPK1RAB9ANPC1CYP2E1
Ethylamine SCHEMBL27831005 0.87 TAAR1 (0.35) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL27605794 0.86 ALDH1A1 (0.40) ALDH1A1MAPK1RAB9ANPC1CYP2E1
SCHEMBL2449602 0.85 ALDH1A1 (0.41) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215579-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES GULBA DIETRICH (DE) 2024-07-04 US disclosed
US-20240218233-A1 AQUEOUS GELLABLE COMPOSITION AND PIPELINE PIGS OBTAINED THEREFROM HALLIBURTON ENERGY SERVICES, INC. (US) 2024-07-04 US disclosed
US-20240191108-A1 TWO COMPONENT (2K) CURABLE ADHESIVE COMPOSITION HENKEL AG & CO KGAA (DE) 2024-06-13 US disclosed
EP-4319556-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES Gulba, Dietrich (DE) 2024-02-14 EP disclosed
US-11883803-B2 Highly active double metal cyanide compounds HENKEL AG & CO. KGAA (DE) 2024-01-30 US disclosed
US-11866547-B2 Method for producing functionalized polyesters HENKEL AG & CO. KGAA (DE) 2024-01-09 US disclosed
WO-2023208579-A1 TWO COMPONENT (2K) ACRYLIC COMPOSITION COMPRISING A THERMOPLASTIC POLYURETHANE HENKEL AG & CO. KGAA (DE) 2023-11-02 WO disclosed
US-20230349048-A1 IMPROVED CR(III)-BASED PASSIVATION FOR ZINC-ALUMINUM COATED STEEL HENKEL AG & CO KGAA (DE) 2023-11-02 US disclosed
EP-4269462-A1 TWO COMPONENT (2K) ACRYLIC COMPOSITION COMPRISING A THERMOPLASTIC POLYURETHANE Henkel AG & Co. KGaA (DE) 2023-11-01 EP disclosed
EP-4269518-A1 TWO COMPONENT (2K) ACRYLIC COMPOSITION COMPRISING A BIO-RENEWABLE MONOMER Henkel AG & Co. KGaA (DE) 2023-11-01 EP disclosed
WO-2010123462-A1 VESICULAR SYSTEM AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-28 WO disclosed
US-20100254890-A1 METHOD OF FORMING A PARTICULATE POROUS METAL OXIDE OR METALLOID OXIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-10-07 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
WO-2010090596-A1 HOLLOW SILICA PARTICLE WITH A POLYMER THEREON AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-12 WO disclosed
WO-2010044752-A1 AMPHIPHILIC POLYMERS AND NANOCRYSTALS COATED THEREWITH AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-22 WO disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 US disclosed
EP-2084105-A1 METHOD OF FUNCTIONALIZING A CARBON MATERIAL Agency for Science, Technology And Research (SG) 2009-08-05 EP disclosed
WO-2009038544-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-03-26 WO disclosed
WO-2008048192-A1 METHOD OF FUNCTIONALIZING A CARBON MATERIAL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-04-24 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY ALDH1A1 1419/4885SLC22A2 4197/4885SLC22A1 4251/4885
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB ALDH1A1 2032/4885SLC22A2 3924/4885SLC22A1 3645/4885
US-11883803-B2 Highly active double metal cyanide compounds CYC1, MCCC2, SCO2 ALDH1A1 3648/4885SLC22A2 1530/4885SLC22A1 1746/4885
US-20240215579-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES PLG, F13B, F2 ALDH1A1 1878/4885SLC22A2 1953/4885SLC22A1 1785/4885

“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.