SCHEMBL16736717

SCHEMBL16736717

CC(C)c1cc(O)c(C2CC2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.38
GABRB1 P18505 3/20 0.38
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB2 P47870 3/20 0.32
LMNA P02545 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD17B1 P14061 2/20 0.32
CYP19A1 P11511 2/20 0.32
STS P08842 1/20 0.32
GLRA1 P23415 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL16736692 0.93 GABRA1 (0.36) GABRA1GABRB1HTR2BHTR2AHTR2C
SCHEMBL16736861 0.79 LMNA (0.42) GABRA1GABRB1HTR2BHTR2CGABRB2
SCHEMBL16736695 0.79 GABRA1 (0.36) GABRA1GABRB1HTR2BGABRB2LMNA
SCHEMBL16736752 0.77 NUDT1 (0.33) HTR2BHTR2AHTR2CALOX15HSP90AA1
SCHEMBL16736677 0.76 HTR2C (0.37) HTR2BHTR2AHTR2CALOX15ALOX12
SCHEMBL18272073 0.75 NOTUM (0.33) GABRA1HTR2AHTR2CGABRB2SLC6A2
SCHEMBL16736689 0.74 GABRA1 (0.48) GABRA1GABRB1HTR2BHTR2CGABRB2
SCHEMBL15031073 0.74 GABRA1 (0.48) GABRA1GABRB1HTR2BHTR2CGABRB2
SCHEMBL16736870 0.72 NUDT1 (0.39) GABRA1GABRB2ADRA1AHSP90AA1HSP90AB1
SCHEMBL16736822 0.72 LMNA (0.40) GABRA1GABRB1HTR2BGABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO claimed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 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 (2 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR GABRA1 201/4885GABRB1 126/4885HTR2B 693/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR GABRA1 201/4885GABRB1 126/4885HTR2B 693/4885

“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.