SCHEMBL487152

SCHEMBL487152

COc1ccc(OC)c(C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.67
ADRA2A P08913 2/20 0.62
ADRA1A P35348 2/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
BLM P54132 1/20 0.61
HTT P42858 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
ACHE P22303 1/20 0.56
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54

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
SCHEMBL19122052 0.86 CYP2D6 (0.51) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL7524532 0.85 CYP2D6 (0.65) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL5418590 0.84 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL31357463 0.84 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL6432485 0.84 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL8223272 0.84 THRB (0.51) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL11260013 0.83 CYP2D6 (0.62) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL2498221 0.83 ADRA1A (0.74) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL9027223 0.83 CYP2D6 (0.62) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL9027230 0.83 ADRA1A (0.69) CYP2D6ADRA2AADRA1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744243-B (E)-2-phenyl-3-(3,5-dimethoxy-4 '-isopropyl benzene) purification method of propenoic acid HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-06 CN claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-11845715-B2 2023-12-19 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-11505528-B2 Inhibitors of microbially induced amyloid AXIAL THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 US disclosed
CN-1656177-A Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON CATALYTIC CHEM IND (JP) 2005-08-17 CN disclosed
US-6858304-B2 Preparation of polyindanebisphenols and polymers derived therefrom HONEYWELL INTERNATIONAL INC. (US) 2005-02-22 US disclosed
US-20030069384-A1 Preparation of polyindanebisphenols and polymers derived therefrom HONEYWELL INTERNATIONAL INC. 2003-04-10 US disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6509063-B1 Copolymerization with such as epoxy resin, epoxy function-alized elastomer or amorphous polycarbonate; impregnating monomer solution on fibrous support and desolvating to form dry laminate HONEYWELL INTERNATIONAL INC. 2003-01-21 US disclosed
US-6153721-A CRACKING BISPHENOL A TO PRODUCE A MIXTURE COMPRISING P-ISOPROPENYLPHENOL AND PHENOL, COPOLYMERIZING THE RESULTING MIXTURE WITH AN ISOPROPENYLBENZENE COMPOUND IN A SUITABLE POLYMERIZATION MEDIUM TO YIELD A POLYINDANEBISPHENOL. HONEYWELL INTERNATIONAL INC. (US) 2000-11-28 US disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US 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 (7 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-11505528-B2 Inhibitors of microbially induced amyloid SNCA, PARK7, PRNP CYP2D6 4352/4885ADRA2A 2603/4885ADRA1A 2801/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 CYP2D6 4325/4885ADRA2A 4471/4885ADRA1A 4437/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 CYP2D6 1725/4885ADRA2A 4714/4885ADRA1A 4355/4885
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, VHL CYP2D6 2635/4885ADRA2A 4321/4885ADRA1A 4629/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS CYP2D6 4865/4885ADRA2A 2232/4885ADRA1A 2383/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP2D6 3373/4885ADRA2A 649/4885ADRA1A 620/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP2D6 3436/4885ADRA2A 2608/4885ADRA1A 2145/4885

“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.