SCHEMBL1799301

SCHEMBL1799301

Br[Zn]CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 3/20 0.42
MAOA P21397 3/20 0.42
CALM1 P0DP23 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL15286850 0.85 SIGMAR1 (0.48) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL3297380 0.75 TAAR1 (0.50) TAAR1LOXL2MAOB
SCHEMBL17596168 0.75
Benzene SCHEMBL3440179 0.73 ALDH1A1 (0.69) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL9741303 0.73 ALDH1A1 (0.69) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL62125 0.73 ALDH1A1 (0.69) TDP1ALDH1A1HPGDALOX15ALOX12
Bromide SCHEMBL3519090 0.72 TSHR (0.48) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL25402413 0.70 ALDH1A1 (0.65) TDP1ALDH1A1HPGDALOX15ALOX12
Hydrogen Sulfide SCHEMBL5468201 0.70 ALDH1A1 (0.65) TDP1ALDH1A1HPGDALOX15ALOX12
SCHEMBL3759913 0.70 ALDH1A1 (0.65) TDP1ALDH1A1HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
US-12600707-B2 Cannabinoid derivatives, precursors and uses KARE CHEMICAL TECHNOLOGIES INC. (CA) 2026-04-14 US disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-20250059152-A1 CATALYTIC TETRAHYDROCANNABINOL SYNTHESIS AND PRECURSORS KARE CHEMICAL TECH INC (CA) 2025-02-20 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-20240174627-A1 CATALYTIC CANNABINOL SYNTHESIS AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2024-05-30 US disclosed
EP-4305027-A1 CATALYTIC CANNABINOL SYNTHESIS AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-01-17 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
WO-2023102655-A1 CATALYTIC TETRAHYDROCANNABINOL SYNTHESIS AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2023-06-15 WO disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
EP-1682510-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 EP disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2005047258-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 WO disclosed
US-20050101569-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 US disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 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 (9 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-20250059152-A1 CATALYTIC TETRAHYDROCANNABINOL SYNTHESIS AND PRECURSORS CNR2, CNR1, CES2 TDP1 1027/4885ALDH1A1 2191/4885HPGD 289/4885
US-20240174627-A1 CATALYTIC CANNABINOL SYNTHESIS AND PRECURSORS CNR2, CNR1, SQLE TDP1 2421/4885ALDH1A1 3156/4885HPGD 474/4885
US-12600707-B2 Cannabinoid derivatives, precursors and uses CNR1, CNR2, GPR18 TDP1 3707/4885ALDH1A1 3776/4885HPGD 914/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TDP1 4837/4885ALDH1A1 3524/4885HPGD 1850/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TDP1 4837/4885ALDH1A1 3524/4885HPGD 1850/4885
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A TDP1 3739/4885ALDH1A1 1837/4885HPGD 4054/4885
US-20050101569-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL TDP1 4223/4885ALDH1A1 285/4885HPGD 411/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TDP1 4837/4885ALDH1A1 3524/4885HPGD 1850/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TDP1 344/4885ALDH1A1 987/4885HPGD 281/4885

“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.