SCHEMBL3640929

SCHEMBL3640929

COc1c(C(C)C)cc(Br)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL13747710 0.87 GABRA1 (0.47) GABRA1GABRB1POLBGAAGFER
SCHEMBL282529 0.86 GABRA1 (0.45) GABRA1GABRB1POLBGAAGFER
SCHEMBL10323552 0.84 GABRA1 (0.40) GABRA1GABRB1POLBGAAGFER
SCHEMBL10323657 0.81 ERN1 (0.47) GABRA1GABRB1HSD17B10CA2
SCHEMBL11775737 0.78 ACHE (0.48) POLBGAAGFERCA2
SCHEMBL14640958 0.78 GABRA1 (0.46) GABRA1POLBGAAGFER
SCHEMBL5002754 0.77 CA2 (0.50) GABRA1GABRB1POLBGAAGFER
SCHEMBL11264823 0.77 GABRA1 (0.50) GABRA1GABRB1POLBHSD17B10
SCHEMBL14581607 0.77 GABRA1 (0.45) GABRA1GABRB1POLBGAAGFER
SCHEMBL3817955 0.76 GAA (0.42) POLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613238-A Preparation method of 2-bromo-1- (3, 5-diisopropyl- [1,1' -biphenyl ] -4-yl) -1H-benzo [ d ] imidazole 浙江凯普化工有限公司 2025-03-14 CN claimed
CN-103896743-A 2,6-diisopropyl-4-fluorophenol or salt and crystal form thereof as well as preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-07-02 CN claimed
CN-119613238-A Preparation method of 2-bromo-1- (3, 5-diisopropyl- [1,1' -biphenyl ] -4-yl) -1H-benzo [ d ] imidazole 浙江凯普化工有限公司 2025-03-14 CN disclosed
CN-119613238-A Preparation method of 2-bromo-1- (3, 5-diisopropyl- [1,1' -biphenyl ] -4-yl) -1H-benzo [ d ] imidazole 浙江凯普化工有限公司 2025-03-14 CN disclosed
CN-103896743-B A kind of preparation method of 2,6 diisopropyl, 4 fluorophenol 四川海思科制药有限公司 2017-04-05 CN disclosed
CN-103896743-A 2,6-diisopropyl-4-fluorophenol or salt and crystal form thereof as well as preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-07-02 CN disclosed
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
EP-1077970-A1 11-ARYL-BENZO(B)NAPHTHO(2,3-D)FURANS AND 11-ARYL-BENZO(B)NAPHTHO(2,3-D)THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
US-6110962-A FOR TREATING INSULIN RESISTANCE, TYPE II DIABETES, HYPERGLYCEMIA, MODULATING INSULIN LEVELS IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 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 (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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I GABRA1 135/4885GABRB1 109/4885POLB 3713/4885

“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.